N-(3-nitrosophenyl)-4-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidin-2-amine

C19H15N7O — CID 89267386

IUPACN-(3-nitrosophenyl)-4-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidin-2-amine
SMILESO=Nc1cccc(Nc2nccc(-c3cccc(Cn4cncn4)c3)n2)c1
InChIInChI=1S/C19H15N7O/c27-25-17-6-2-5-16(10-17)23-19-21-8-7-18(24-19)15-4-1-3-14(9-15)11-26-13-20-12-22-26/h1-10,12-13H,11H2,(H,21,23,24)
InChIKeyQJXAQOHGVBPEID-UHFFFAOYSA-N
MW357.38 g/mol
LogP3.92
Rot. Bonds6

About N-(3-nitrosophenyl)-4-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidin-2-amine

N-(3-nitrosophenyl)-4-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidin-2-amine (PubChem CID 89267386) has the molecular formula C19H15N7O and a molecular weight of 357.38 g/mol. Its IUPAC name is N-(3-nitrosophenyl)-4-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-nitrosophenyl)-4-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidin-2-amine
PubChem CID89267386
Molecular FormulaC19H15N7O
Molecular Weight357.38 g/mol
Exact Mass357.13
IUPAC NameN-(3-nitrosophenyl)-4-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidin-2-amine
SMILESO=Nc1cccc(Nc2nccc(-c3cccc(Cn4cncn4)c3)n2)c1
InChIInChI=1S/C19H15N7O/c27-25-17-6-2-5-16(10-17)23-19-21-8-7-18(24-19)15-4-1-3-14(9-15)11-26-13-20-12-22-26/h1-10,12-13H,11H2,(H,21,23,24)
InChIKeyQJXAQOHGVBPEID-UHFFFAOYSA-N
XLogP3.92
TPSA97.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-morpholin-4-ylphenyl)-4-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidin-2-amine
CID 11553394
4-[3-[[ethyl(propan-2-yl)amino]methyl]phenyl]-N-(3-nitrosophenyl)pyrimidin-2-amine
CID 89267376
N-methyl-N-[3-[2-(3-nitrosoanilino)pyrimidin-4-yl]phenyl]methanesulfonamide
CID 89267402
5-methyl-N-[3-[3-[2-[3-(1,2,4-triazol-1-ylmethyl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]thiophene-2-carboxamide
CID 67160545
[4-[[6-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidin-4-yl]amino]phenyl]methanesulfonamide
CID 25101436
ethane;N-(3-methylphenyl)-4-pyridin-3-ylpyrimidin-2-amine
CID 90795343
4-[3-(1,2,4-triazol-1-ylmethyl)phenyl]phenol
CID 23585512
3-N-[4-(3-aminophenyl)pyrimidin-2-yl]benzene-1,3-diamine
CID 11492825
N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methylideneamino]aniline
CID 169383917
3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide
CID 14347156
4-[4-(oxan-4-yloxy)phenyl]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidin-2-amine
CID 141304808
1-[[3-(4-fluorophenyl)phenyl]methyl]-1,2,4-triazole
CID 23585776

Frequently Asked Questions

What is the IUPAC name of N-(3-nitrosophenyl)-4-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidin-2-amine?
The IUPAC name of N-(3-nitrosophenyl)-4-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidin-2-amine (CID 89267386) is N-(3-nitrosophenyl)-4-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for N-(3-nitrosophenyl)-4-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidin-2-amine?
The canonical SMILES for N-(3-nitrosophenyl)-4-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidin-2-amine is O=Nc1cccc(Nc2nccc(-c3cccc(Cn4cncn4)c3)n2)c1.
What is the InChIKey of N-(3-nitrosophenyl)-4-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidin-2-amine?
The InChIKey is QJXAQOHGVBPEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N7O/c27-25-17-6-2-5-16(10-17)23-19-21-8-7-18(24-19)15-4-1-3-14(9-15)11-26-13-20-12-22-26/h1-10,12-13H,11H2,(H,21,23,24).
What are the key properties of N-(3-nitrosophenyl)-4-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidin-2-amine?
N-(3-nitrosophenyl)-4-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidin-2-amine has a molecular weight of 357.38 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-nitrosophenyl)-4-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 89267386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).