2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S)-2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]acetamide

C17H27N7O — CID 95225160

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S)-2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]acetamide
SMILESCc1n[nH]c(C)c1CC(=O)N[C@H](c1nnc2n1CCNCC2)C(C)C
InChIInChI=1S/C17H27N7O/c1-10(2)16(17-23-22-14-5-6-18-7-8-24(14)17)19-15(25)9-13-11(3)20-21-12(13)4/h10,16,18H,5-9H2,1-4H3,(H,19,25)(H,20,21)/t16-/m0/s1
InChIKeyMOAFVLPEAORPDX-INIZCTEOSA-N
MW345.45 g/mol
LogP0.82
Rot. Bonds5

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S)-2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]acetamide

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S)-2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]acetamide (PubChem CID 95225160) has the molecular formula C17H27N7O and a molecular weight of 345.45 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S)-2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S)-2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]acetamide
PubChem CID95225160
Molecular FormulaC17H27N7O
Molecular Weight345.45 g/mol
Exact Mass345.23
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S)-2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]acetamide
SMILESCc1n[nH]c(C)c1CC(=O)N[C@H](c1nnc2n1CCNCC2)C(C)C
InChIInChI=1S/C17H27N7O/c1-10(2)16(17-23-22-14-5-6-18-7-8-24(14)17)19-15(25)9-13-11(3)20-21-12(13)4/h10,16,18H,5-9H2,1-4H3,(H,19,25)(H,20,21)/t16-/m0/s1
InChIKeyMOAFVLPEAORPDX-INIZCTEOSA-N
XLogP0.82
TPSA100.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S)-2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]acetamide with MolForge

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Related Compounds

2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]acetamide
CID 56717311
4-methoxy-N-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]benzamide
CID 118759046
2-(3-methyl-1,2-oxazol-5-yl)-N-[3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]acetamide
CID 56718040
2-(3-methyl-1,2-oxazol-5-yl)-N-[(1S)-3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]acetamide
CID 95219532
2-amino-N-[(1R)-2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]-6-propan-2-ylpyrimidine-4-carboxamide
CID 95206693
N-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]-6-oxo-1H-pyrazine-3-carboxamide
CID 56716911
N-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
CID 56711712
N-[(1R)-2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]quinoline-2-carboxamide
CID 95200999
(1S)-2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propan-1-amine
CID 97132676
(1S)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)ethanamine
CID 97150422
1-amino-N-[(1R)-3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]cyclopropane-1-carboxamide
CID 95215321
N-[(1R)-1-[7-[(2,6-dimethoxyphenyl)methyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]-2-methylpropyl]propanamide
CID 42368522

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S)-2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S)-2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]acetamide (CID 95225160) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S)-2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S)-2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S)-2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]acetamide is Cc1n[nH]c(C)c1CC(=O)N[C@H](c1nnc2n1CCNCC2)C(C)C.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S)-2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]acetamide?
The InChIKey is MOAFVLPEAORPDX-INIZCTEOSA-N. The full InChI is InChI=1S/C17H27N7O/c1-10(2)16(17-23-22-14-5-6-18-7-8-24(14)17)19-15(25)9-13-11(3)20-21-12(13)4/h10,16,18H,5-9H2,1-4H3,(H,19,25)(H,20,21)/t16-/m0/s1.
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S)-2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]acetamide?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S)-2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]acetamide has a molecular weight of 345.45 g/mol, XLogP of 0.82, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S)-2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]acetamide is sourced from PubChem (CID 95225160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).