1-(6-anilinopyrimidin-4-yl)-3-N-(3-methoxyphenyl)-1,2,4-triazole-3,5-diamine

C19H18N8O — CID 58976644

IUPAC1-(6-anilinopyrimidin-4-yl)-3-N-(3-methoxyphenyl)-1,2,4-triazole-3,5-diamine
SMILESCOc1cccc(Nc2nc(N)n(-c3cc(Nc4ccccc4)ncn3)n2)c1
InChIInChI=1S/C19H18N8O/c1-28-15-9-5-8-14(10-15)24-19-25-18(20)27(26-19)17-11-16(21-12-22-17)23-13-6-3-2-4-7-13/h2-12H,1H3,(H,21,22,23)(H3,20,24,25,26)
InChIKeyMMEKCJDPYMUKEP-UHFFFAOYSA-N
MW374.41 g/mol
LogP3.14
Rot. Bonds6

About 1-(6-anilinopyrimidin-4-yl)-3-N-(3-methoxyphenyl)-1,2,4-triazole-3,5-diamine

1-(6-anilinopyrimidin-4-yl)-3-N-(3-methoxyphenyl)-1,2,4-triazole-3,5-diamine (PubChem CID 58976644) has the molecular formula C19H18N8O and a molecular weight of 374.41 g/mol. Its IUPAC name is 1-(6-anilinopyrimidin-4-yl)-3-N-(3-methoxyphenyl)-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name1-(6-anilinopyrimidin-4-yl)-3-N-(3-methoxyphenyl)-1,2,4-triazole-3,5-diamine
PubChem CID58976644
Molecular FormulaC19H18N8O
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC Name1-(6-anilinopyrimidin-4-yl)-3-N-(3-methoxyphenyl)-1,2,4-triazole-3,5-diamine
SMILESCOc1cccc(Nc2nc(N)n(-c3cc(Nc4ccccc4)ncn3)n2)c1
InChIInChI=1S/C19H18N8O/c1-28-15-9-5-8-14(10-15)24-19-25-18(20)27(26-19)17-11-16(21-12-22-17)23-13-6-3-2-4-7-13/h2-12H,1H3,(H,21,22,23)(H3,20,24,25,26)
InChIKeyMMEKCJDPYMUKEP-UHFFFAOYSA-N
XLogP3.14
TPSA115.80 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 1-(6-anilinopyrimidin-4-yl)-3-N-(3-methoxyphenyl)-1,2,4-triazole-3,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-[[5-amino-1-(6-anilinopyrimidin-4-yl)-1,2,4-triazol-3-yl]amino]phenyl]ethanone
CID 58976391
1-(3-methoxyphenyl)-3-N-phenyl-1,2,4-triazole-3,5-diamine
CID 58976009
1-(6-anilinopyrimidin-4-yl)-3-N-[4-(diethylamino)phenyl]-1,2,4-triazole-3,5-diamine
CID 58976761
1-(6-anilinopyrimidin-4-yl)-3-N-cyclohexyl-1,2,4-triazole-3,5-diamine
CID 58976376
1-isoquinolin-3-yl-3-N-phenyl-1,2,4-triazole-3,5-diamine
CID 58976903
3-N-(4-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
CID 58976428
1-[6-[(3,4-dichlorophenyl)methylamino]pyrimidin-4-yl]-3-N-phenyl-1,2,4-triazole-3,5-diamine
CID 58976520
(2R)-2-[[6-(5-amino-3-anilino-1,2,4-triazol-1-yl)pyrimidin-4-yl]amino]-3-phenylpropan-1-ol
CID 58976588
1-(4-methoxyphenyl)-3-N-(4-phenoxyphenyl)-1,2,4-triazole-3,5-diamine
CID 58975976
1-(6-anilino-2-methylsulfanylpyrimidin-4-yl)-3-N-phenyl-1,2,4-triazole-3,5-diamine
CID 58976348
6-(5-amino-3-methylpyrazol-1-yl)-N-(4-methoxyphenyl)pyrimidin-4-amine
CID 100641017
N-(4-methoxyphenyl)-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine
CID 3365524

Frequently Asked Questions

What is the IUPAC name of 1-(6-anilinopyrimidin-4-yl)-3-N-(3-methoxyphenyl)-1,2,4-triazole-3,5-diamine?
The IUPAC name of 1-(6-anilinopyrimidin-4-yl)-3-N-(3-methoxyphenyl)-1,2,4-triazole-3,5-diamine (CID 58976644) is 1-(6-anilinopyrimidin-4-yl)-3-N-(3-methoxyphenyl)-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 1-(6-anilinopyrimidin-4-yl)-3-N-(3-methoxyphenyl)-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 1-(6-anilinopyrimidin-4-yl)-3-N-(3-methoxyphenyl)-1,2,4-triazole-3,5-diamine is COc1cccc(Nc2nc(N)n(-c3cc(Nc4ccccc4)ncn3)n2)c1.
What is the InChIKey of 1-(6-anilinopyrimidin-4-yl)-3-N-(3-methoxyphenyl)-1,2,4-triazole-3,5-diamine?
The InChIKey is MMEKCJDPYMUKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N8O/c1-28-15-9-5-8-14(10-15)24-19-25-18(20)27(26-19)17-11-16(21-12-22-17)23-13-6-3-2-4-7-13/h2-12H,1H3,(H,21,22,23)(H3,20,24,25,26).
What are the key properties of 1-(6-anilinopyrimidin-4-yl)-3-N-(3-methoxyphenyl)-1,2,4-triazole-3,5-diamine?
1-(6-anilinopyrimidin-4-yl)-3-N-(3-methoxyphenyl)-1,2,4-triazole-3,5-diamine has a molecular weight of 374.41 g/mol, XLogP of 3.14, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-anilinopyrimidin-4-yl)-3-N-(3-methoxyphenyl)-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 58976644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).