N-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepin-6-ylmethyl)pyrazine-2-carboxamide

C13H16N6O — CID 121229452

IUPACN-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepin-6-ylmethyl)pyrazine-2-carboxamide
SMILESO=C(NCC1CNCc2nccn2C1)c1cnccn1
InChIInChI=1S/C13H16N6O/c20-13(11-7-14-1-2-16-11)18-6-10-5-15-8-12-17-3-4-19(12)9-10/h1-4,7,10,15H,5-6,8-9H2,(H,18,20)
InChIKeyBNCGNGFKUVDLCZ-UHFFFAOYSA-N
MW272.31 g/mol
LogP-0.18
Rot. Bonds3

About N-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepin-6-ylmethyl)pyrazine-2-carboxamide

N-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepin-6-ylmethyl)pyrazine-2-carboxamide (PubChem CID 121229452) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is N-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepin-6-ylmethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepin-6-ylmethyl)pyrazine-2-carboxamide
PubChem CID121229452
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC NameN-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepin-6-ylmethyl)pyrazine-2-carboxamide
SMILESO=C(NCC1CNCc2nccn2C1)c1cnccn1
InChIInChI=1S/C13H16N6O/c20-13(11-7-14-1-2-16-11)18-6-10-5-15-8-12-17-3-4-19(12)9-10/h1-4,7,10,15H,5-6,8-9H2,(H,18,20)
InChIKeyBNCGNGFKUVDLCZ-UHFFFAOYSA-N
XLogP-0.18
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepin-6-ylmethyl)pyrazine-2-carboxamide with MolForge

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Related Compounds

N-(azetidin-3-ylmethyl)pyrazine-2-carboxamide
CID 127017038
6-[(pyrazine-2-carbonylamino)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide
CID 134076092
N-[[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]pyrazine-2-carboxamide
CID 75367236
N-[[(3S)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methyl]pyrazine-2-carboxamide
CID 95228903
4-[(pyrazine-2-carbonylamino)methyl]piperidine-1-carboxylic acid
CID 154500129
N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazine-2-carboxamide
CID 35220191
1-pyrrolidin-1-yl-2-[[(6R)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepin-6-yl]methoxy]ethanone
CID 97381785
2,6-dimethyl-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidine-4-carboxamide
CID 129340522
[(6S)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-pyrazin-2-ylmethanone
CID 97462351
N-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrazole-5-carboxamide
CID 129472235
1-[[(6S)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one
CID 124554762
N-[(5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl)methyl]pyrazine-2-carboxamide
CID 133141737

Frequently Asked Questions

What is the IUPAC name of N-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepin-6-ylmethyl)pyrazine-2-carboxamide?
The IUPAC name of N-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepin-6-ylmethyl)pyrazine-2-carboxamide (CID 121229452) is N-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepin-6-ylmethyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepin-6-ylmethyl)pyrazine-2-carboxamide?
The canonical SMILES for N-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepin-6-ylmethyl)pyrazine-2-carboxamide is O=C(NCC1CNCc2nccn2C1)c1cnccn1.
What is the InChIKey of N-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepin-6-ylmethyl)pyrazine-2-carboxamide?
The InChIKey is BNCGNGFKUVDLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c20-13(11-7-14-1-2-16-11)18-6-10-5-15-8-12-17-3-4-19(12)9-10/h1-4,7,10,15H,5-6,8-9H2,(H,18,20).
What are the key properties of N-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepin-6-ylmethyl)pyrazine-2-carboxamide?
N-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepin-6-ylmethyl)pyrazine-2-carboxamide has a molecular weight of 272.31 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepin-6-ylmethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 121229452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).