(3R)-N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]oxan-3-amine

C16H20N4O — CID 97339270

IUPAC(3R)-N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]oxan-3-amine
SMILESc1cc(-c2n[nH]c(C3CC3)n2)ccc1N[C@@H]1CCCOC1
InChIInChI=1S/C16H20N4O/c1-2-14(10-21-9-1)17-13-7-5-12(6-8-13)16-18-15(19-20-16)11-3-4-11/h5-8,11,14,17H,1-4,9-10H2,(H,18,19,20)/t14-/m1/s1
InChIKeyOBFGUHVYQJGDIZ-CQSZACIVSA-N
MW284.36 g/mol
LogP2.94
Rot. Bonds4

About (3R)-N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]oxan-3-amine

(3R)-N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]oxan-3-amine (PubChem CID 97339270) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is (3R)-N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]oxan-3-amine.

Molecular Properties

Compound Name(3R)-N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]oxan-3-amine
PubChem CID97339270
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name(3R)-N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]oxan-3-amine
SMILESc1cc(-c2n[nH]c(C3CC3)n2)ccc1N[C@@H]1CCCOC1
InChIInChI=1S/C16H20N4O/c1-2-14(10-21-9-1)17-13-7-5-12(6-8-13)16-18-15(19-20-16)11-3-4-11/h5-8,11,14,17H,1-4,9-10H2,(H,18,19,20)/t14-/m1/s1
InChIKeyOBFGUHVYQJGDIZ-CQSZACIVSA-N
XLogP2.94
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]oxan-3-amine with MolForge

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Related Compounds

5-cyclopropyl-3-phenyl-1H-1,2,4-triazole
CID 61338880
N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119763577
3-N-(oxan-3-yl)-1H-1,2,4-triazole-3,5-diamine
CID 66274730
2-bromo-5-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)aniline
CID 107814437
4-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N,N-dimethylaniline
CID 61338708
9-amino-N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120988565
4-(azepan-1-ylmethyl)-N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]piperidine-1-carboxamide
CID 56518428
2-[4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)phenyl]ethanamine
CID 61337767
5-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methylpyridine
CID 61339281
6-[5-(oxolan-3-yl)-1H-1,2,4-triazol-3-yl]-1,4-dihydroquinoxaline-2,3-dione
CID 74249301
3-(3-bromo-4-chlorophenyl)-5-cyclopropyl-1H-1,2,4-triazole
CID 107989217
4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-methylpyridine
CID 106753267

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]oxan-3-amine?
The IUPAC name of (3R)-N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]oxan-3-amine (CID 97339270) is (3R)-N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]oxan-3-amine.
What is the SMILES notation for (3R)-N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]oxan-3-amine?
The canonical SMILES for (3R)-N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]oxan-3-amine is c1cc(-c2n[nH]c(C3CC3)n2)ccc1N[C@@H]1CCCOC1.
What is the InChIKey of (3R)-N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]oxan-3-amine?
The InChIKey is OBFGUHVYQJGDIZ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20N4O/c1-2-14(10-21-9-1)17-13-7-5-12(6-8-13)16-18-15(19-20-16)11-3-4-11/h5-8,11,14,17H,1-4,9-10H2,(H,18,19,20)/t14-/m1/s1.
What are the key properties of (3R)-N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]oxan-3-amine?
(3R)-N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]oxan-3-amine has a molecular weight of 284.36 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]oxan-3-amine is sourced from PubChem (CID 97339270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).