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

C16H24N6O — CID 154866536

IUPAC5-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
SMILESCC(C)c1nnc(CNC(=O)C2c3cn[nH]c3CCC2C)n1C
InChIInChI=1S/C16H24N6O/c1-9(2)15-21-20-13(22(15)4)8-17-16(23)14-10(3)5-6-12-11(14)7-18-19-12/h7,9-10,14H,5-6,8H2,1-4H3,(H,17,23)(H,18,19)
InChIKeyFVGMTEZTTDQKIW-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.64
Rot. Bonds4

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

5-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide (PubChem CID 154866536) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is 5-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
PubChem CID154866536
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name5-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
SMILESCC(C)c1nnc(CNC(=O)C2c3cn[nH]c3CCC2C)n1C
InChIInChI=1S/C16H24N6O/c1-9(2)15-21-20-13(22(15)4)8-17-16(23)14-10(3)5-6-12-11(14)7-18-19-12/h7,9-10,14H,5-6,8H2,1-4H3,(H,17,23)(H,18,19)
InChIKeyFVGMTEZTTDQKIW-UHFFFAOYSA-N
XLogP1.64
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide (CID 154866536) is 5-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide is CC(C)c1nnc(CNC(=O)C2c3cn[nH]c3CCC2C)n1C.
What is the InChIKey of 5-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
The InChIKey is FVGMTEZTTDQKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-9(2)15-21-20-13(22(15)4)8-17-16(23)14-10(3)5-6-12-11(14)7-18-19-12/h7,9-10,14H,5-6,8H2,1-4H3,(H,17,23)(H,18,19).
What are the key properties of 5-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
5-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide has a molecular weight of 316.41 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide is sourced from PubChem (CID 154866536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).