N-[3-methoxy-4-[(3R)-oxolan-3-yl]phenyl]-1-phenyl-1,2,4-triazol-3-amine

C19H20N4O2 — CID 134589468

IUPACN-[3-methoxy-4-[(3R)-oxolan-3-yl]phenyl]-1-phenyl-1,2,4-triazol-3-amine
SMILESCOc1cc(Nc2ncn(-c3ccccc3)n2)ccc1[C@H]1CCOC1
InChIInChI=1S/C19H20N4O2/c1-24-18-11-15(7-8-17(18)14-9-10-25-12-14)21-19-20-13-23(22-19)16-5-3-2-4-6-16/h2-8,11,13-14H,9-10,12H2,1H3,(H,21,22)/t14-/m0/s1
InChIKeyOACMRWXWJQCIFU-AWEZNQCLSA-N
MW336.40 g/mol
LogP3.52
Rot. Bonds5

About N-[3-methoxy-4-[(3R)-oxolan-3-yl]phenyl]-1-phenyl-1,2,4-triazol-3-amine

N-[3-methoxy-4-[(3R)-oxolan-3-yl]phenyl]-1-phenyl-1,2,4-triazol-3-amine (PubChem CID 134589468) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[3-methoxy-4-[(3R)-oxolan-3-yl]phenyl]-1-phenyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN-[3-methoxy-4-[(3R)-oxolan-3-yl]phenyl]-1-phenyl-1,2,4-triazol-3-amine
PubChem CID134589468
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-[3-methoxy-4-[(3R)-oxolan-3-yl]phenyl]-1-phenyl-1,2,4-triazol-3-amine
SMILESCOc1cc(Nc2ncn(-c3ccccc3)n2)ccc1[C@H]1CCOC1
InChIInChI=1S/C19H20N4O2/c1-24-18-11-15(7-8-17(18)14-9-10-25-12-14)21-19-20-13-23(22-19)16-5-3-2-4-6-16/h2-8,11,13-14H,9-10,12H2,1H3,(H,21,22)/t14-/m0/s1
InChIKeyOACMRWXWJQCIFU-AWEZNQCLSA-N
XLogP3.52
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-methoxy-4-[(3R)-oxolan-3-yl]phenyl]-1-phenyl-1,2,4-triazol-3-amine with MolForge

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Related Compounds

2-methoxy-N-(oxetan-3-yl)-4-[(1-phenyl-1,2,4-triazol-3-yl)amino]benzamide
CID 134589815
[2-methoxy-4-[(1-phenyl-1,2,4-triazol-3-yl)amino]phenyl]-morpholin-4-ylmethanone
CID 134589705
2-methyl-5-[(3R)-oxolan-3-yl]-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine
CID 134589760
2-methoxy-5-[(1-phenyl-1,2,4-triazol-3-yl)amino]benzoic acid
CID 134589387
N-(3-cyclopropyloxyphenyl)-1-phenyl-1,2,4-triazol-3-amine
CID 134589560
2-methoxy-N-methyl-5-[(1-phenyl-1,2,4-triazol-3-yl)amino]benzamide
CID 134589371
2-methyl-5-(oxan-4-yl)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine
CID 134589899
1-phenyl-N-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-amine
CID 11770857
4-[(1-phenyl-1,2,4-triazol-3-yl)amino]-2-propan-2-yloxybenzonitrile
CID 134589185
5-methyl-3-N-[1-(oxetan-3-yl)piperidin-4-yl]-1-N-(1-phenyl-1,2,4-triazol-3-yl)benzene-1,3-diamine;molecular hydrogen
CID 160752053
1-(3-ethoxyphenyl)-N-(3-methoxyphenyl)-1,2,4-triazol-3-amine
CID 134605893
4-(2-methoxyphenyl)oxane
CID 121009799

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-[(3R)-oxolan-3-yl]phenyl]-1-phenyl-1,2,4-triazol-3-amine?
The IUPAC name of N-[3-methoxy-4-[(3R)-oxolan-3-yl]phenyl]-1-phenyl-1,2,4-triazol-3-amine (CID 134589468) is N-[3-methoxy-4-[(3R)-oxolan-3-yl]phenyl]-1-phenyl-1,2,4-triazol-3-amine.
What is the SMILES notation for N-[3-methoxy-4-[(3R)-oxolan-3-yl]phenyl]-1-phenyl-1,2,4-triazol-3-amine?
The canonical SMILES for N-[3-methoxy-4-[(3R)-oxolan-3-yl]phenyl]-1-phenyl-1,2,4-triazol-3-amine is COc1cc(Nc2ncn(-c3ccccc3)n2)ccc1[C@H]1CCOC1.
What is the InChIKey of N-[3-methoxy-4-[(3R)-oxolan-3-yl]phenyl]-1-phenyl-1,2,4-triazol-3-amine?
The InChIKey is OACMRWXWJQCIFU-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-24-18-11-15(7-8-17(18)14-9-10-25-12-14)21-19-20-13-23(22-19)16-5-3-2-4-6-16/h2-8,11,13-14H,9-10,12H2,1H3,(H,21,22)/t14-/m0/s1.
What are the key properties of N-[3-methoxy-4-[(3R)-oxolan-3-yl]phenyl]-1-phenyl-1,2,4-triazol-3-amine?
N-[3-methoxy-4-[(3R)-oxolan-3-yl]phenyl]-1-phenyl-1,2,4-triazol-3-amine has a molecular weight of 336.40 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-[(3R)-oxolan-3-yl]phenyl]-1-phenyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 134589468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).