N,1-dimethyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide

C16H24N6O — CID 50954403

IUPACN,1-dimethyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCCCn1cnnc1CN(C)C(=O)c1nn(C)c2c1CCCC2
InChIInChI=1S/C16H24N6O/c1-4-9-22-11-17-18-14(22)10-20(2)16(23)15-12-7-5-6-8-13(12)21(3)19-15/h11H,4-10H2,1-3H3
InChIKeyHYKRVFFGSBRMNJ-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.57
Rot. Bonds5

About N,1-dimethyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide

N,1-dimethyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 50954403) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is N,1-dimethyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID50954403
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC NameN,1-dimethyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCCCn1cnnc1CN(C)C(=O)c1nn(C)c2c1CCCC2
InChIInChI=1S/C16H24N6O/c1-4-9-22-11-17-18-14(22)10-20(2)16(23)15-12-7-5-6-8-13(12)21(3)19-15/h11H,4-10H2,1-3H3
InChIKeyHYKRVFFGSBRMNJ-UHFFFAOYSA-N
XLogP1.57
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of N,1-dimethyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 50954403) is N,1-dimethyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for N,1-dimethyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide is CCCn1cnnc1CN(C)C(=O)c1nn(C)c2c1CCCC2.
What is the InChIKey of N,1-dimethyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is HYKRVFFGSBRMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-4-9-22-11-17-18-14(22)10-20(2)16(23)15-12-7-5-6-8-13(12)21(3)19-15/h11H,4-10H2,1-3H3.
What are the key properties of N,1-dimethyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
N,1-dimethyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 316.41 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 50954403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).