N-[(1S)-1-cyclopropylethyl]-N,5-dimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide

C19H26N4O — CID 94821507

IUPACN-[(1S)-1-cyclopropylethyl]-N,5-dimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)N(C)[C@@H](C)C2CC2)nn1-c1ccccc1C(C)C
InChIInChI=1S/C19H26N4O/c1-12(2)16-8-6-7-9-17(16)23-14(4)20-18(21-23)19(24)22(5)13(3)15-10-11-15/h6-9,12-13,15H,10-11H2,1-5H3/t13-/m0/s1
InChIKeyKUGVDQPLUPKTIU-ZDUSSCGKSA-N
MW326.44 g/mol
LogP3.57
Rot. Bonds5

About N-[(1S)-1-cyclopropylethyl]-N,5-dimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide

N-[(1S)-1-cyclopropylethyl]-N,5-dimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide (PubChem CID 94821507) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[(1S)-1-cyclopropylethyl]-N,5-dimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclopropylethyl]-N,5-dimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide
PubChem CID94821507
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-[(1S)-1-cyclopropylethyl]-N,5-dimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)N(C)[C@@H](C)C2CC2)nn1-c1ccccc1C(C)C
InChIInChI=1S/C19H26N4O/c1-12(2)16-8-6-7-9-17(16)23-14(4)20-18(21-23)19(24)22(5)13(3)15-10-11-15/h6-9,12-13,15H,10-11H2,1-5H3/t13-/m0/s1
InChIKeyKUGVDQPLUPKTIU-ZDUSSCGKSA-N
XLogP3.57
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopropylethyl]-N,5-dimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[(1S)-1-cyclopropylethyl]-N,5-dimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide (CID 94821507) is N-[(1S)-1-cyclopropylethyl]-N,5-dimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyclopropylethyl]-N,5-dimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[(1S)-1-cyclopropylethyl]-N,5-dimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide is Cc1nc(C(=O)N(C)[C@@H](C)C2CC2)nn1-c1ccccc1C(C)C.
What is the InChIKey of N-[(1S)-1-cyclopropylethyl]-N,5-dimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is KUGVDQPLUPKTIU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H26N4O/c1-12(2)16-8-6-7-9-17(16)23-14(4)20-18(21-23)19(24)22(5)13(3)15-10-11-15/h6-9,12-13,15H,10-11H2,1-5H3/t13-/m0/s1.
What are the key properties of N-[(1S)-1-cyclopropylethyl]-N,5-dimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide?
N-[(1S)-1-cyclopropylethyl]-N,5-dimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopropylethyl]-N,5-dimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 94821507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).