N-[3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C16H25N7O2 — CID 56702284

IUPACN-[3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCC(C)CC(NC(=O)C1=NNC(=O)CC1)c1nnc2n1CCNCC2
InChIInChI=1S/C16H25N7O2/c1-10(2)9-12(18-16(25)11-3-4-14(24)21-19-11)15-22-20-13-5-6-17-7-8-23(13)15/h10,12,17H,3-9H2,1-2H3,(H,18,25)(H,21,24)
InChIKeyKVNITHXKFOHNQL-UHFFFAOYSA-N
MW347.42 g/mol
LogP-0.11
Rot. Bonds5

About N-[3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-[3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 56702284) has the molecular formula C16H25N7O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID56702284
Molecular FormulaC16H25N7O2
Molecular Weight347.42 g/mol
Exact Mass347.21
IUPAC NameN-[3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCC(C)CC(NC(=O)C1=NNC(=O)CC1)c1nnc2n1CCNCC2
InChIInChI=1S/C16H25N7O2/c1-10(2)9-12(18-16(25)11-3-4-14(24)21-19-11)15-22-20-13-5-6-17-7-8-23(13)15/h10,12,17H,3-9H2,1-2H3,(H,18,25)(H,21,24)
InChIKeyKVNITHXKFOHNQL-UHFFFAOYSA-N
XLogP-0.11
TPSA113.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide with MolForge

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Related Compounds

4-methyl-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]pentanamide
CID 71897664
N-[(1S)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]cyclopentanecarboxamide
CID 36439482
6-oxo-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]piperidine-3-carboxamide
CID 53521607
N-[3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]-1-(trifluoromethyl)cyclopropanecarboxamide
CID 56715311
5-oxo-1-propan-2-yl-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 71897323
N-[[7-(2-ethylbutyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 118757002
N-[(1S)-3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 95210301
N-[(1R)-3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 95210302
N-{2-[7-(3-methylbutyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl}cyclobutanecarboxamide
CID 26351179
N-[2-[7-(2-ethylbutyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl]cyclobutanecarboxamide
CID 42163135
N-[[7-(cyclohexylmethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]acetamide
CID 42167106
N-[1-[7-(cyclohexylmethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl]-1-methylpiperidine-4-carboxamide
CID 45165811

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 56702284) is N-[3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is CC(C)CC(NC(=O)C1=NNC(=O)CC1)c1nnc2n1CCNCC2.
What is the InChIKey of N-[3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is KVNITHXKFOHNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7O2/c1-10(2)9-12(18-16(25)11-3-4-14(24)21-19-11)15-22-20-13-5-6-17-7-8-23(13)15/h10,12,17H,3-9H2,1-2H3,(H,18,25)(H,21,24).
What are the key properties of N-[3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-[3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 347.42 g/mol, XLogP of -0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 56702284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).