N-[(1R,2R)-2-tert-butylcyclohexyl]-3-(1,2,4-triazol-1-yl)propanamide

C15H26N4O — CID 95276466

IUPACN-[(1R,2R)-2-tert-butylcyclohexyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C)(C)[C@H]1CCCC[C@H]1NC(=O)CCn1cncn1
InChIInChI=1S/C15H26N4O/c1-15(2,3)12-6-4-5-7-13(12)18-14(20)8-9-19-11-16-10-17-19/h10-13H,4-9H2,1-3H3,(H,18,20)/t12-,13+/m0/s1
InChIKeyOXCIPMZOUUAWQH-QWHCGFSZSA-N
MW278.40 g/mol
LogP2.39
Rot. Bonds4

About N-[(1R,2R)-2-tert-butylcyclohexyl]-3-(1,2,4-triazol-1-yl)propanamide

N-[(1R,2R)-2-tert-butylcyclohexyl]-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 95276466) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[(1R,2R)-2-tert-butylcyclohexyl]-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-tert-butylcyclohexyl]-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID95276466
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-[(1R,2R)-2-tert-butylcyclohexyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C)(C)[C@H]1CCCC[C@H]1NC(=O)CCn1cncn1
InChIInChI=1S/C15H26N4O/c1-15(2,3)12-6-4-5-7-13(12)18-14(20)8-9-19-11-16-10-17-19/h10-13H,4-9H2,1-3H3,(H,18,20)/t12-,13+/m0/s1
InChIKeyOXCIPMZOUUAWQH-QWHCGFSZSA-N
XLogP2.39
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclooctyl-3-(1,2,4-triazol-1-yl)propanamide
CID 31336018
N-[(1S,2S)-2-hydroxycyclooctyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 154565061
N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(1,2,4-triazol-1-yl)propanamide
CID 100839204
N-[(1S,2R)-2-tert-butylcyclohexyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 95600891
tert-butyl N-[(1S,2S)-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]cyclohexyl]carbamate
CID 94639619
N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 110127909
N-(2-amino-2-methylpropyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 81483875
N-[(1R,5R,6R,7R)-7-phenyl-6-bicyclo[3.2.0]heptanyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 126417156
3,3-dimethyl-2-[3-(1,2,4-triazol-1-yl)propanoylamino]butanoic acid
CID 43467801
N-[2-(cyclopropylamino)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 62665464
N-(2,3-dihydroxy-2-methylpropyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 66168569
N-[(1S,5S,6R,7S)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(1,2,4-triazol-1-yl)propanamide
CID 133260673

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-tert-butylcyclohexyl]-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[(1R,2R)-2-tert-butylcyclohexyl]-3-(1,2,4-triazol-1-yl)propanamide (CID 95276466) is N-[(1R,2R)-2-tert-butylcyclohexyl]-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[(1R,2R)-2-tert-butylcyclohexyl]-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[(1R,2R)-2-tert-butylcyclohexyl]-3-(1,2,4-triazol-1-yl)propanamide is CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)CCn1cncn1.
What is the InChIKey of N-[(1R,2R)-2-tert-butylcyclohexyl]-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is OXCIPMZOUUAWQH-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H26N4O/c1-15(2,3)12-6-4-5-7-13(12)18-14(20)8-9-19-11-16-10-17-19/h10-13H,4-9H2,1-3H3,(H,18,20)/t12-,13+/m0/s1.
What are the key properties of N-[(1R,2R)-2-tert-butylcyclohexyl]-3-(1,2,4-triazol-1-yl)propanamide?
N-[(1R,2R)-2-tert-butylcyclohexyl]-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 278.40 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-tert-butylcyclohexyl]-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 95276466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).