N-(3-methoxy-4-pyrrolidin-3-ylphenyl)-5-phenyl-1H-1,2,4-triazol-3-amine

C19H21N5O — CID 134589301

IUPACN-(3-methoxy-4-pyrrolidin-3-ylphenyl)-5-phenyl-1H-1,2,4-triazol-3-amine
SMILESCOc1cc(Nc2n[nH]c(-c3ccccc3)n2)ccc1C1CCNC1
InChIInChI=1S/C19H21N5O/c1-25-17-11-15(7-8-16(17)14-9-10-20-12-14)21-19-22-18(23-24-19)13-5-3-2-4-6-13/h2-8,11,14,20H,9-10,12H2,1H3,(H2,21,22,23,24)
InChIKeyPRYQBKSZRFXORA-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.30
Rot. Bonds5

About N-(3-methoxy-4-pyrrolidin-3-ylphenyl)-5-phenyl-1H-1,2,4-triazol-3-amine

N-(3-methoxy-4-pyrrolidin-3-ylphenyl)-5-phenyl-1H-1,2,4-triazol-3-amine (PubChem CID 134589301) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(3-methoxy-4-pyrrolidin-3-ylphenyl)-5-phenyl-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN-(3-methoxy-4-pyrrolidin-3-ylphenyl)-5-phenyl-1H-1,2,4-triazol-3-amine
PubChem CID134589301
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC NameN-(3-methoxy-4-pyrrolidin-3-ylphenyl)-5-phenyl-1H-1,2,4-triazol-3-amine
SMILESCOc1cc(Nc2n[nH]c(-c3ccccc3)n2)ccc1C1CCNC1
InChIInChI=1S/C19H21N5O/c1-25-17-11-15(7-8-16(17)14-9-10-20-12-14)21-19-22-18(23-24-19)13-5-3-2-4-6-13/h2-8,11,14,20H,9-10,12H2,1H3,(H2,21,22,23,24)
InChIKeyPRYQBKSZRFXORA-UHFFFAOYSA-N
XLogP3.30
TPSA74.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-{3-[4-(tert-butyl)phenyl]-5-N,N-dimethylamino-(1,2,4-triazol-4-yl)}-3-methoxybenzene
CID 10150089
2-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1-(4-methylphenyl)guanidine
CID 53617532
1-[4-(3-amino-1H-1,2,4-triazol-5-yl)cyclohexyl]-3-(3-methoxyphenyl)urea
CID 75430331
5-(4-amino-2-ethoxyphenyl)-N-(4-fluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 23582490
5-[5-chloro-1-(4-fluorophenyl)pentyl]-N-[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-1H-1,2,4-triazol-3-amine
CID 66859415
5-[(4-fluorophenyl)methyl]-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-1H-1,2,4-triazol-3-amine
CID 89730652
5-[4-(dimethylamino)-2-methoxyphenyl]-N-(4-fluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 140111295
5-(4-amino-2-methoxyphenyl)-N-(4-fluoro-3-methylphenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 140111332
[4-[5-(4-fluoro-N-methylanilino)-4-methyl-1,2,4-triazol-3-yl]-3-methoxyphenyl]urea
CID 140111355
[4-[5-(4-fluoro-N,3-dimethylanilino)-4-methyl-1,2,4-triazol-3-yl]-3-methoxyphenyl]urea
CID 140111374
2-[4-[5-(4-fluoro-N-methylanilino)-4-methyl-1,2,4-triazol-3-yl]-3-methoxyanilino]ethanol
CID 140111375
2-[4-[5-(4-fluoro-N,3-dimethylanilino)-4-methyl-1,2,4-triazol-3-yl]-3-methoxyanilino]ethanol
CID 140111563

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-4-pyrrolidin-3-ylphenyl)-5-phenyl-1H-1,2,4-triazol-3-amine?
The IUPAC name of N-(3-methoxy-4-pyrrolidin-3-ylphenyl)-5-phenyl-1H-1,2,4-triazol-3-amine (CID 134589301) is N-(3-methoxy-4-pyrrolidin-3-ylphenyl)-5-phenyl-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for N-(3-methoxy-4-pyrrolidin-3-ylphenyl)-5-phenyl-1H-1,2,4-triazol-3-amine?
The canonical SMILES for N-(3-methoxy-4-pyrrolidin-3-ylphenyl)-5-phenyl-1H-1,2,4-triazol-3-amine is COc1cc(Nc2n[nH]c(-c3ccccc3)n2)ccc1C1CCNC1.
What is the InChIKey of N-(3-methoxy-4-pyrrolidin-3-ylphenyl)-5-phenyl-1H-1,2,4-triazol-3-amine?
The InChIKey is PRYQBKSZRFXORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-25-17-11-15(7-8-16(17)14-9-10-20-12-14)21-19-22-18(23-24-19)13-5-3-2-4-6-13/h2-8,11,14,20H,9-10,12H2,1H3,(H2,21,22,23,24).
What are the key properties of N-(3-methoxy-4-pyrrolidin-3-ylphenyl)-5-phenyl-1H-1,2,4-triazol-3-amine?
N-(3-methoxy-4-pyrrolidin-3-ylphenyl)-5-phenyl-1H-1,2,4-triazol-3-amine has a molecular weight of 335.41 g/mol, XLogP of 3.30, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-4-pyrrolidin-3-ylphenyl)-5-phenyl-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 134589301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).