2-methyl-N-[(1R)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)ethyl]imidazo[1,2-a]pyrimidine-3-carboxamide

C16H20N8O — CID 95222412

IUPAC2-methyl-N-[(1R)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)ethyl]imidazo[1,2-a]pyrimidine-3-carboxamide
SMILESCc1nc2ncccn2c1C(=O)N[C@H](C)c1nnc2n1CCNCC2
InChIInChI=1S/C16H20N8O/c1-10-13(24-8-3-5-18-16(24)20-10)15(25)19-11(2)14-22-21-12-4-6-17-7-9-23(12)14/h3,5,8,11,17H,4,6-7,9H2,1-2H3,(H,19,25)/t11-/m1/s1
InChIKeyICIVMBBGKVGCCQ-LLVKDONJSA-N
MW340.39 g/mol
LogP0.27
Rot. Bonds3

About 2-methyl-N-[(1R)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)ethyl]imidazo[1,2-a]pyrimidine-3-carboxamide

2-methyl-N-[(1R)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)ethyl]imidazo[1,2-a]pyrimidine-3-carboxamide (PubChem CID 95222412) has the molecular formula C16H20N8O and a molecular weight of 340.39 g/mol. Its IUPAC name is 2-methyl-N-[(1R)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)ethyl]imidazo[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(1R)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)ethyl]imidazo[1,2-a]pyrimidine-3-carboxamide
PubChem CID95222412
Molecular FormulaC16H20N8O
Molecular Weight340.39 g/mol
Exact Mass340.18
IUPAC Name2-methyl-N-[(1R)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)ethyl]imidazo[1,2-a]pyrimidine-3-carboxamide
SMILESCc1nc2ncccn2c1C(=O)N[C@H](C)c1nnc2n1CCNCC2
InChIInChI=1S/C16H20N8O/c1-10-13(24-8-3-5-18-16(24)20-10)15(25)19-11(2)14-22-21-12-4-6-17-7-9-23(12)14/h3,5,8,11,17H,4,6-7,9H2,1-2H3,(H,19,25)/t11-/m1/s1
InChIKeyICIVMBBGKVGCCQ-LLVKDONJSA-N
XLogP0.27
TPSA102.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-methyl-N-[(1R)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)ethyl]imidazo[1,2-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

N-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide
CID 133112462
2-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride
CID 155291153
N-[(1R)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pyridine-2-carboxamide
CID 95155743
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
N-[(1R)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]pyridine-2-carboxamide
CID 95130586
4-pyrazol-1-yl-N-[(1R)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]piperidine-4-carboxamide;dihydrochloride
CID 120938497
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
3-amino-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pyridine-2-carboxamide
CID 104741154
2-bromo-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pyridine-3-carboxamide
CID 103754845
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-[(1R)-3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 95191679
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]benzamide
CID 60715577

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1R)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)ethyl]imidazo[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-methyl-N-[(1R)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)ethyl]imidazo[1,2-a]pyrimidine-3-carboxamide (CID 95222412) is 2-methyl-N-[(1R)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)ethyl]imidazo[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[(1R)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)ethyl]imidazo[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-methyl-N-[(1R)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)ethyl]imidazo[1,2-a]pyrimidine-3-carboxamide is Cc1nc2ncccn2c1C(=O)N[C@H](C)c1nnc2n1CCNCC2.
What is the InChIKey of 2-methyl-N-[(1R)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)ethyl]imidazo[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is ICIVMBBGKVGCCQ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H20N8O/c1-10-13(24-8-3-5-18-16(24)20-10)15(25)19-11(2)14-22-21-12-4-6-17-7-9-23(12)14/h3,5,8,11,17H,4,6-7,9H2,1-2H3,(H,19,25)/t11-/m1/s1.
What are the key properties of 2-methyl-N-[(1R)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)ethyl]imidazo[1,2-a]pyrimidine-3-carboxamide?
2-methyl-N-[(1R)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)ethyl]imidazo[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 340.39 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1R)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)ethyl]imidazo[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 95222412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).