N-[(6R)-2-(2-hydroxyethyl)-4-methyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-1H-1,2,4-triazole-5-carboxamide

C13H17N7O3 — CID 175813205

IUPACN-[(6R)-2-(2-hydroxyethyl)-4-methyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-1H-1,2,4-triazole-5-carboxamide
SMILESCN1C(=O)[C@H](NC(=O)c2ncn[nH]2)CCn2nc(CCO)cc21
InChIInChI=1S/C13H17N7O3/c1-19-10-6-8(3-5-21)18-20(10)4-2-9(13(19)23)16-12(22)11-14-7-15-17-11/h6-7,9,21H,2-5H2,1H3,(H,16,22)(H,14,15,17)/t9-/m1/s1
InChIKeyMXEZERUVXUUNDB-SECBINFHSA-N
MW319.33 g/mol
LogP-1.30
Rot. Bonds4

About N-[(6R)-2-(2-hydroxyethyl)-4-methyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-1H-1,2,4-triazole-5-carboxamide

N-[(6R)-2-(2-hydroxyethyl)-4-methyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 175813205) has the molecular formula C13H17N7O3 and a molecular weight of 319.33 g/mol. Its IUPAC name is N-[(6R)-2-(2-hydroxyethyl)-4-methyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-[(6R)-2-(2-hydroxyethyl)-4-methyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID175813205
Molecular FormulaC13H17N7O3
Molecular Weight319.33 g/mol
Exact Mass319.14
IUPAC NameN-[(6R)-2-(2-hydroxyethyl)-4-methyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-1H-1,2,4-triazole-5-carboxamide
SMILESCN1C(=O)[C@H](NC(=O)c2ncn[nH]2)CCn2nc(CCO)cc21
InChIInChI=1S/C13H17N7O3/c1-19-10-6-8(3-5-21)18-20(10)4-2-9(13(19)23)16-12(22)11-14-7-15-17-11/h6-7,9,21H,2-5H2,1H3,(H,16,22)(H,14,15,17)/t9-/m1/s1
InChIKeyMXEZERUVXUUNDB-SECBINFHSA-N
XLogP-1.30
TPSA129.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 5-1.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[(6R)-2-(2-hydroxyethyl)-4-methyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-1H-1,2,4-triazole-5-carboxamide with MolForge

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Related Compounds

N-[(6R)-2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-4-methyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-1H-1,2,4-triazole-5-carboxamide
CID 175813267
(6R)-2-(2-hydroxyethyl)-4,6-dimethyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one
CID 145225417
[4-methyl-2-(2-morpholin-4-ylethyl)-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]carbamic acid
CID 174219361
1-benzyl-N-[(6S)-2-(2-hydroxyethyl)-4-methyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-2-methyl-3H-1,2,4-triazole-3-carboxamide
CID 155480529
[2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-4-methyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]carbamic acid
CID 174219322
N-(1-methylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide
CID 67184534
1-benzyl-N-[2-(2-ethoxyethyl)-4-methyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-1,2,4-triazole-3-carboxamide;buta-1,3-diene
CID 145225470
N-[(6R)-2,4-dimethyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-5-[(4-methylphenyl)methyl]-1H-1,2,4-triazole-3-carboxamide
CID 149193231
3-[(6S)-6-[(1-benzyl-1,2,4-triazole-3-carbonyl)amino]-4-methyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-2-yl]azetidine-1-carboxylic acid
CID 175813156
(7S)-7-(2,2-difluoropropyl)-N-[(6S)-2,4-dimethyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-7-methyl-5H-furo[3,4-d]pyrimidine-2-carboxamide
CID 163539538
bis(1-benzyl-N-[(6S)-2-(1-hydroxyethyl)-4-methyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-1,2,4-triazole-3-carboxamide);methane
CID 157377602
N-(2,4-dimethyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl)-5-phenylisoquinoline-3-carboxamide
CID 140764917

Frequently Asked Questions

What is the IUPAC name of N-[(6R)-2-(2-hydroxyethyl)-4-methyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-[(6R)-2-(2-hydroxyethyl)-4-methyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-1H-1,2,4-triazole-5-carboxamide (CID 175813205) is N-[(6R)-2-(2-hydroxyethyl)-4-methyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-[(6R)-2-(2-hydroxyethyl)-4-methyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-[(6R)-2-(2-hydroxyethyl)-4-methyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-1H-1,2,4-triazole-5-carboxamide is CN1C(=O)[C@H](NC(=O)c2ncn[nH]2)CCn2nc(CCO)cc21.
What is the InChIKey of N-[(6R)-2-(2-hydroxyethyl)-4-methyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is MXEZERUVXUUNDB-SECBINFHSA-N. The full InChI is InChI=1S/C13H17N7O3/c1-19-10-6-8(3-5-21)18-20(10)4-2-9(13(19)23)16-12(22)11-14-7-15-17-11/h6-7,9,21H,2-5H2,1H3,(H,16,22)(H,14,15,17)/t9-/m1/s1.
What are the key properties of N-[(6R)-2-(2-hydroxyethyl)-4-methyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-1H-1,2,4-triazole-5-carboxamide?
N-[(6R)-2-(2-hydroxyethyl)-4-methyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 319.33 g/mol, XLogP of -1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6R)-2-(2-hydroxyethyl)-4-methyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 175813205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).