2-[7-(5-chloro-1-methylpyrazole-4-carbonyl)-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N,N-dimethylacetamide

C14H18ClN7O3 — CID 167883900

IUPAC2-[7-(5-chloro-1-methylpyrazole-4-carbonyl)-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)c1cnn(C)c1Cl)C2
InChIInChI=1S/C14H18ClN7O3/c1-18(2)11(23)8-22-14(25)21-5-4-20(7-10(21)17-22)13(24)9-6-16-19(3)12(9)15/h6H,4-5,7-8H2,1-3H3
InChIKeyNLGTXQQADOCUEP-UHFFFAOYSA-N
MW367.80 g/mol
LogP-0.82
Rot. Bonds3

About 2-[7-(5-chloro-1-methylpyrazole-4-carbonyl)-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N,N-dimethylacetamide

2-[7-(5-chloro-1-methylpyrazole-4-carbonyl)-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N,N-dimethylacetamide (PubChem CID 167883900) has the molecular formula C14H18ClN7O3 and a molecular weight of 367.80 g/mol. Its IUPAC name is 2-[7-(5-chloro-1-methylpyrazole-4-carbonyl)-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[7-(5-chloro-1-methylpyrazole-4-carbonyl)-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N,N-dimethylacetamide
PubChem CID167883900
Molecular FormulaC14H18ClN7O3
Molecular Weight367.80 g/mol
Exact Mass367.12
IUPAC Name2-[7-(5-chloro-1-methylpyrazole-4-carbonyl)-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)c1cnn(C)c1Cl)C2
InChIInChI=1S/C14H18ClN7O3/c1-18(2)11(23)8-22-14(25)21-5-4-20(7-10(21)17-22)13(24)9-6-16-19(3)12(9)15/h6H,4-5,7-8H2,1-3H3
InChIKeyNLGTXQQADOCUEP-UHFFFAOYSA-N
XLogP-0.82
TPSA98.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.80
LogP ≤ 5-0.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-(cyclopropylmethyl)-7-(1,5-dimethylpyrazole-3-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 155881559
2-[7-(2,3-dihydro-1H-indol-7-ylmethyl)-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N,N-dimethylacetamide;hydrochloride
CID 120853556
2-benzyl-N,N-dimethyl-3-oxo-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide
CID 91922523
2-(cyclopropylmethyl)-7-(2-imidazol-1-ylacetyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 155880393
(4-chloro-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 81233345
7-benzoyl-2-(3-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 134790600
2-[2-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-2-oxoethyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-one
CID 55752160
2-[4-(3-ethyl-1-methylpyrazole-5-carbonyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 46957153
7-hex-5-ynoyl-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 146072827
(5-amino-1-methylpyrazol-4-yl)-(azocan-1-yl)methanone
CID 115330379
2-methyl-7-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 75393963
2-[[4-(5-chloro-1-methylpyrazole-4-carbonyl)piperazin-1-yl]methyl]-5-[(2-chlorophenyl)methoxy]pyran-4-one
CID 92760992

Frequently Asked Questions

What is the IUPAC name of 2-[7-(5-chloro-1-methylpyrazole-4-carbonyl)-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[7-(5-chloro-1-methylpyrazole-4-carbonyl)-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N,N-dimethylacetamide (CID 167883900) is 2-[7-(5-chloro-1-methylpyrazole-4-carbonyl)-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[7-(5-chloro-1-methylpyrazole-4-carbonyl)-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[7-(5-chloro-1-methylpyrazole-4-carbonyl)-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N,N-dimethylacetamide is CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)c1cnn(C)c1Cl)C2.
What is the InChIKey of 2-[7-(5-chloro-1-methylpyrazole-4-carbonyl)-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N,N-dimethylacetamide?
The InChIKey is NLGTXQQADOCUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN7O3/c1-18(2)11(23)8-22-14(25)21-5-4-20(7-10(21)17-22)13(24)9-6-16-19(3)12(9)15/h6H,4-5,7-8H2,1-3H3.
What are the key properties of 2-[7-(5-chloro-1-methylpyrazole-4-carbonyl)-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N,N-dimethylacetamide?
2-[7-(5-chloro-1-methylpyrazole-4-carbonyl)-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N,N-dimethylacetamide has a molecular weight of 367.80 g/mol, XLogP of -0.82, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(5-chloro-1-methylpyrazole-4-carbonyl)-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 167883900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).