N-(1-benzyl-1,2,4-triazol-3-yl)-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C18H20N6O — CID 167830675

IUPACN-(1-benzyl-1,2,4-triazol-3-yl)-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCC1CCc2[nH]nc(C(=O)Nc3ncn(Cc4ccccc4)n3)c2C1
InChIInChI=1S/C18H20N6O/c1-12-7-8-15-14(9-12)16(22-21-15)17(25)20-18-19-11-24(23-18)10-13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,21,22)(H,20,23,25)
InChIKeyZHGUOZQNUCFVGP-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.43
Rot. Bonds4

About N-(1-benzyl-1,2,4-triazol-3-yl)-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-(1-benzyl-1,2,4-triazol-3-yl)-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 167830675) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is N-(1-benzyl-1,2,4-triazol-3-yl)-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-1,2,4-triazol-3-yl)-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID167830675
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC NameN-(1-benzyl-1,2,4-triazol-3-yl)-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCC1CCc2[nH]nc(C(=O)Nc3ncn(Cc4ccccc4)n3)c2C1
InChIInChI=1S/C18H20N6O/c1-12-7-8-15-14(9-12)16(22-21-15)17(25)20-18-19-11-24(23-18)10-13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,21,22)(H,20,23,25)
InChIKeyZHGUOZQNUCFVGP-UHFFFAOYSA-N
XLogP2.43
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-1,2,4-triazol-3-yl)-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-(1-benzyl-1,2,4-triazol-3-yl)-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 167830675) is N-(1-benzyl-1,2,4-triazol-3-yl)-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(1-benzyl-1,2,4-triazol-3-yl)-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-(1-benzyl-1,2,4-triazol-3-yl)-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is CC1CCc2[nH]nc(C(=O)Nc3ncn(Cc4ccccc4)n3)c2C1.
What is the InChIKey of N-(1-benzyl-1,2,4-triazol-3-yl)-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is ZHGUOZQNUCFVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-12-7-8-15-14(9-12)16(22-21-15)17(25)20-18-19-11-24(23-18)10-13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,21,22)(H,20,23,25).
What are the key properties of N-(1-benzyl-1,2,4-triazol-3-yl)-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-(1-benzyl-1,2,4-triazol-3-yl)-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-1,2,4-triazol-3-yl)-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 167830675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).