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

C15H21N7O2 — CID 56716911

IUPACN-[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
SMILESCC(C)C(NC(=O)c1c[nH]c(=O)cn1)c1nnc2n1CCNCC2
InChIInChI=1S/C15H21N7O2/c1-9(2)13(19-15(24)10-7-18-12(23)8-17-10)14-21-20-11-3-4-16-5-6-22(11)14/h7-9,13,16H,3-6H2,1-2H3,(H,18,23)(H,19,24)
InChIKeyXSLKSDVZGAXKDH-UHFFFAOYSA-N
MW331.38 g/mol
LogP-0.37
Rot. Bonds4

About 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

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 (PubChem CID 56716911) has the molecular formula C15H21N7O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID56716911
Molecular FormulaC15H21N7O2
Molecular Weight331.38 g/mol
Exact Mass331.18
IUPAC NameN-[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
SMILESCC(C)C(NC(=O)c1c[nH]c(=O)cn1)c1nnc2n1CCNCC2
InChIInChI=1S/C15H21N7O2/c1-9(2)13(19-15(24)10-7-18-12(23)8-17-10)14-21-20-11-3-4-16-5-6-22(11)14/h7-9,13,16H,3-6H2,1-2H3,(H,18,23)(H,19,24)
InChIKeyXSLKSDVZGAXKDH-UHFFFAOYSA-N
XLogP-0.37
TPSA117.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
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]-5-propan-2-yl-1,3-oxazole-4-carboxamide
CID 56711712
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-(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
N-[(1R)-2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]-3-pyridin-3-ylpropanamide
CID 95196760
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
N-[(1R)-3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]-6-oxo-1H-pyridine-2-carboxamide
CID 95188594
(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
2-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]pyridine-4-carboxamide
CID 95212966
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-methylpropyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 75463597

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)C(NC(=O)c1c[nH]c(=O)cn1)c1nnc2n1CCNCC2.
What is the InChIKey of 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?
The InChIKey is XSLKSDVZGAXKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O2/c1-9(2)13(19-15(24)10-7-18-12(23)8-17-10)14-21-20-11-3-4-16-5-6-22(11)14/h7-9,13,16H,3-6H2,1-2H3,(H,18,23)(H,19,24).
What are the key properties of 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?
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 has a molecular weight of 331.38 g/mol, XLogP of -0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 56716911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).