N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)pyrazine-2-carboxamide

C13H16N6O — CID 91922568

IUPACN-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)pyrazine-2-carboxamide
SMILESCc1nnc2n1CCC(NC(=O)c1cnccn1)CC2
InChIInChI=1S/C13H16N6O/c1-9-17-18-12-3-2-10(4-7-19(9)12)16-13(20)11-8-14-5-6-15-11/h5-6,8,10H,2-4,7H2,1H3,(H,16,20)
InChIKeyWQFAZILWACTDCM-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.51
Rot. Bonds2

About N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)pyrazine-2-carboxamide

N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)pyrazine-2-carboxamide (PubChem CID 91922568) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)pyrazine-2-carboxamide
PubChem CID91922568
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC NameN-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)pyrazine-2-carboxamide
SMILESCc1nnc2n1CCC(NC(=O)c1cnccn1)CC2
InChIInChI=1S/C13H16N6O/c1-9-17-18-12-3-2-10(4-7-19(9)12)16-13(20)11-8-14-5-6-15-11/h5-6,8,10H,2-4,7H2,1H3,(H,16,20)
InChIKeyWQFAZILWACTDCM-UHFFFAOYSA-N
XLogP0.51
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)pyrazine-2-carboxamide with MolForge

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Related Compounds

[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 72141944
[3-(3,5-Dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 72142910
[3-[(dimethylamino)methyl]-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]-(1H-imidazol-5-yl)methanone
CID 97405572
1H-imidazol-5-yl-[3-(piperidin-1-ylmethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]methanone
CID 97519775
N-[(8-acetyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]pyrazine-2-carboxamide
CID 118738960
[6-(Methoxymethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[1,5-a][1,4]diazepin-8-yl]-(5-methylpyrazin-2-yl)methanone
CID 118739433
2-{9-Ethyl-5H,6H,7H,8H,9H-imidazo[1,2-A][1,4]diazepine-8-carbonyl}-5-methylpyrazine
CID 124049420
6-[(trans-3-{5-[(dimethylamino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}cyclobutyl)amino]-N,N-dimethylpyrazine-2-carboxamide
CID 91764573
N-[2-(1-methyl-1H-1,2,4-triazol-5-yl)ethyl]-1-(2-piperidin-2-ylethyl)-1H-1,2,3-triazole-4-carboxamide
CID 70724937
N-methyl-N-[3-(1-methyl-1H-imidazol-2-yl)propyl]-1-(2-piperidin-2-ylethyl)-1H-1,2,3-triazole-4-carboxamide
CID 70752750
[2-(4-ethyl-4H-1,2,4-triazol-3-yl)piperidino](2-pyrazinyl)methanone
CID 87052116
[2-(4-propyl-4H-1,2,4-triazol-3-yl)piperidino](2-pyrazinyl)methanone
CID 87052132

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)pyrazine-2-carboxamide?
The IUPAC name of N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)pyrazine-2-carboxamide (CID 91922568) is N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)pyrazine-2-carboxamide is Cc1nnc2n1CCC(NC(=O)c1cnccn1)CC2.
What is the InChIKey of N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)pyrazine-2-carboxamide?
The InChIKey is WQFAZILWACTDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c1-9-17-18-12-3-2-10(4-7-19(9)12)16-13(20)11-8-14-5-6-15-11/h5-6,8,10H,2-4,7H2,1H3,(H,16,20).
What are the key properties of N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)pyrazine-2-carboxamide?
N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)pyrazine-2-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 91922568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).