1-(2-chlorophenyl)-5-cyclopropyl-N-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,2,4-triazole-3-carboxamide

C18H18ClN7O — CID 96535050

IUPAC1-(2-chlorophenyl)-5-cyclopropyl-N-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,2,4-triazole-3-carboxamide
SMILESO=C(N[C@@H]1CCCn2ncnc21)c1nc(C2CC2)n(-c2ccccc2Cl)n1
InChIInChI=1S/C18H18ClN7O/c19-12-4-1-2-6-14(12)26-16(11-7-8-11)23-15(24-26)18(27)22-13-5-3-9-25-17(13)20-10-21-25/h1-2,4,6,10-11,13H,3,5,7-9H2,(H,22,27)/t13-/m1/s1
InChIKeyNGCWOOUKIOYBGM-CYBMUJFWSA-N
MW383.84 g/mol
LogP2.65
Rot. Bonds4

About 1-(2-chlorophenyl)-5-cyclopropyl-N-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,2,4-triazole-3-carboxamide

1-(2-chlorophenyl)-5-cyclopropyl-N-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,2,4-triazole-3-carboxamide (PubChem CID 96535050) has the molecular formula C18H18ClN7O and a molecular weight of 383.84 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-cyclopropyl-N-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-cyclopropyl-N-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,2,4-triazole-3-carboxamide
PubChem CID96535050
Molecular FormulaC18H18ClN7O
Molecular Weight383.84 g/mol
Exact Mass383.13
IUPAC Name1-(2-chlorophenyl)-5-cyclopropyl-N-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,2,4-triazole-3-carboxamide
SMILESO=C(N[C@@H]1CCCn2ncnc21)c1nc(C2CC2)n(-c2ccccc2Cl)n1
InChIInChI=1S/C18H18ClN7O/c19-12-4-1-2-6-14(12)26-16(11-7-8-11)23-15(24-26)18(27)22-13-5-3-9-25-17(13)20-10-21-25/h1-2,4,6,10-11,13H,3,5,7-9H2,(H,22,27)/t13-/m1/s1
InChIKeyNGCWOOUKIOYBGM-CYBMUJFWSA-N
XLogP2.65
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(2-chlorophenyl)-5-cyclopropyl-N-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,2,4-triazole-3-carboxamide with MolForge

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Related Compounds

(3-aminopiperidin-1-yl)-[1-(2-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]methanone;hydrochloride
CID 119381785
1-(2-chlorophenyl)-5-cyclopropyl-N-(3-methylpiperidin-4-yl)-1,2,4-triazole-3-carboxamide
CID 120556967
[1-(2-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]-(3-hydroxypiperidin-1-yl)methanone
CID 110911052
1-(2-chlorophenyl)-5-cyclopropyl-N-[2-(ethylamino)ethyl]-1,2,4-triazole-3-carboxamide
CID 119509497
(3R)-3-[[1-(2-chlorophenyl)-5-cyclopropyl-1,2,4-triazole-3-carbonyl]amino]butanoic acid
CID 97234250
[1-(2-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119564007
N-(2-amino-1-cyclopropylethyl)-1-(2-chlorophenyl)-5-cyclopropyl-1,2,4-triazole-3-carboxamide
CID 119617758
1-(2-chlorophenyl)-5-cyclopropyl-N-(2-piperidin-3-ylethyl)-1,2,4-triazole-3-carboxamide;hydrochloride
CID 119559444
[1-(2-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]-(4-methylsulfanylpiperidin-1-yl)methanone
CID 136557467
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(2-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]methanone
CID 120657951
N-(1-aminohexan-2-yl)-1-(2-chlorophenyl)-5-cyclopropyl-1,2,4-triazole-3-carboxamide
CID 119668750
3-[[1-(2-chlorophenyl)-5-cyclopropyl-1,2,4-triazole-3-carbonyl]-propan-2-ylamino]propanoic acid
CID 119207653

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-cyclopropyl-N-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-5-cyclopropyl-N-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,2,4-triazole-3-carboxamide (CID 96535050) is 1-(2-chlorophenyl)-5-cyclopropyl-N-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-5-cyclopropyl-N-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-5-cyclopropyl-N-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,2,4-triazole-3-carboxamide is O=C(N[C@@H]1CCCn2ncnc21)c1nc(C2CC2)n(-c2ccccc2Cl)n1.
What is the InChIKey of 1-(2-chlorophenyl)-5-cyclopropyl-N-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,2,4-triazole-3-carboxamide?
The InChIKey is NGCWOOUKIOYBGM-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H18ClN7O/c19-12-4-1-2-6-14(12)26-16(11-7-8-11)23-15(24-26)18(27)22-13-5-3-9-25-17(13)20-10-21-25/h1-2,4,6,10-11,13H,3,5,7-9H2,(H,22,27)/t13-/m1/s1.
What are the key properties of 1-(2-chlorophenyl)-5-cyclopropyl-N-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,2,4-triazole-3-carboxamide?
1-(2-chlorophenyl)-5-cyclopropyl-N-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,2,4-triazole-3-carboxamide has a molecular weight of 383.84 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-cyclopropyl-N-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 96535050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).