N-(cyclopropylmethyl)-N,5-dimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide

C18H24N4O — CID 51103451

IUPACN-(cyclopropylmethyl)-N,5-dimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)N(C)CC2CC2)nn1-c1ccccc1C(C)C
InChIInChI=1S/C18H24N4O/c1-12(2)15-7-5-6-8-16(15)22-13(3)19-17(20-22)18(23)21(4)11-14-9-10-14/h5-8,12,14H,9-11H2,1-4H3
InChIKeyKUWXASDSRKDLDP-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.18
Rot. Bonds5

About N-(cyclopropylmethyl)-N,5-dimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide

N-(cyclopropylmethyl)-N,5-dimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide (PubChem CID 51103451) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N,5-dimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N,5-dimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide
PubChem CID51103451
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-(cyclopropylmethyl)-N,5-dimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)N(C)CC2CC2)nn1-c1ccccc1C(C)C
InChIInChI=1S/C18H24N4O/c1-12(2)15-7-5-6-8-16(15)22-13(3)19-17(20-22)18(23)21(4)11-14-9-10-14/h5-8,12,14H,9-11H2,1-4H3
InChIKeyKUWXASDSRKDLDP-UHFFFAOYSA-N
XLogP3.18
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N,5-dimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-N,5-dimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide (CID 51103451) is N-(cyclopropylmethyl)-N,5-dimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N,5-dimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N,5-dimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide is Cc1nc(C(=O)N(C)CC2CC2)nn1-c1ccccc1C(C)C.
What is the InChIKey of N-(cyclopropylmethyl)-N,5-dimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is KUWXASDSRKDLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-12(2)15-7-5-6-8-16(15)22-13(3)19-17(20-22)18(23)21(4)11-14-9-10-14/h5-8,12,14H,9-11H2,1-4H3.
What are the key properties of N-(cyclopropylmethyl)-N,5-dimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide?
N-(cyclopropylmethyl)-N,5-dimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N,5-dimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 51103451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).