1-phenyl-N-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-amine

C17H18N4O — CID 11770857

IUPAC1-phenyl-N-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-amine
SMILESCC(C)Oc1cccc(Nc2ncn(-c3ccccc3)n2)c1
InChIInChI=1S/C17H18N4O/c1-13(2)22-16-10-6-7-14(11-16)19-17-18-12-21(20-17)15-8-4-3-5-9-15/h3-13H,1-2H3,(H,19,20)
InChIKeySWDYRFIUFHKZLX-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.80
Rot. Bonds5

About 1-phenyl-N-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-amine

1-phenyl-N-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-amine (PubChem CID 11770857) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 1-phenyl-N-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-phenyl-N-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-amine
PubChem CID11770857
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name1-phenyl-N-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-amine
SMILESCC(C)Oc1cccc(Nc2ncn(-c3ccccc3)n2)c1
InChIInChI=1S/C17H18N4O/c1-13(2)22-16-10-6-7-14(11-16)19-17-18-12-21(20-17)15-8-4-3-5-9-15/h3-13H,1-2H3,(H,19,20)
InChIKeySWDYRFIUFHKZLX-UHFFFAOYSA-N
XLogP3.80
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-fluorophenyl)-N-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-amine
CID 134589818
N-(2-fluoro-5-propan-2-yloxyphenyl)-1-phenyl-1,2,4-triazol-3-amine
CID 134589402
N-(3-methyl-5-propan-2-yloxyphenyl)-1-pyridin-3-yl-1,2,4-triazol-3-amine
CID 134589901
1-(3-ethoxyphenyl)-N-(3-methoxyphenyl)-1,2,4-triazol-3-amine
CID 134605893
2-methoxy-5-[(1-phenyl-1,2,4-triazol-3-yl)amino]benzoic acid
CID 134589387
2-methyl-N-[3-methyl-5-[(1-phenyl-1,2,4-triazol-3-yl)amino]phenyl]propanamide
CID 134589530
9-benzyl-2-chloro-N-(3-propan-2-yloxyphenyl)purin-6-amine
CID 5271944
2-methoxy-N-methyl-5-[(1-phenyl-1,2,4-triazol-3-yl)amino]benzamide
CID 134589371
N-(5-ethoxy-2-methylphenyl)-1-phenyl-1,2,4-triazol-3-amine
CID 134589763
2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-4-N-(1-phenyl-1,2,4-triazol-3-yl)pyridine-2,4-diamine
CID 134605763
N-(3,5-dimethoxyphenyl)-1-pyridin-3-yl-1,2,4-triazol-3-amine
CID 134589915
4-[[1-(4-fluorophenyl)-1,2,4-triazol-3-yl]amino]-N-(oxetan-3-yl)-2-propan-2-yloxybenzamide
CID 134589453

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-amine?
The IUPAC name of 1-phenyl-N-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-amine (CID 11770857) is 1-phenyl-N-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-phenyl-N-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 1-phenyl-N-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-amine is CC(C)Oc1cccc(Nc2ncn(-c3ccccc3)n2)c1.
What is the InChIKey of 1-phenyl-N-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-amine?
The InChIKey is SWDYRFIUFHKZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-13(2)22-16-10-6-7-14(11-16)19-17-18-12-21(20-17)15-8-4-3-5-9-15/h3-13H,1-2H3,(H,19,20).
What are the key properties of 1-phenyl-N-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-amine?
1-phenyl-N-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-amine has a molecular weight of 294.36 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 11770857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).