7-(3-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

C18H15N5O — CID 11209321

IUPAC7-(3-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESNc1nc2nccc(-c3cccc(OCc4ccccc4)c3)n2n1
InChIInChI=1S/C18H15N5O/c19-17-21-18-20-10-9-16(23(18)22-17)14-7-4-8-15(11-14)24-12-13-5-2-1-3-6-13/h1-11H,12H2,(H2,19,22)
InChIKeyHFCPFJFDWCMTTM-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.95
Rot. Bonds4

About 7-(3-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

7-(3-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 11209321) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 7-(3-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name7-(3-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID11209321
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name7-(3-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESNc1nc2nccc(-c3cccc(OCc4ccccc4)c3)n2n1
InChIInChI=1S/C18H15N5O/c19-17-21-18-20-10-9-16(23(18)22-17)14-7-4-8-15(11-14)24-12-13-5-2-1-3-6-13/h1-11H,12H2,(H2,19,22)
InChIKeyHFCPFJFDWCMTTM-UHFFFAOYSA-N
XLogP2.95
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenyl-7-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66498307
1-methyl-5-(3-phenylmethoxyphenyl)pyrazole
CID 175709836
2-(4-methoxyphenyl)-7-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66498210
2-(phenoxymethyl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 110205345
2-benzylsulfanyl-7-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66491543
7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 11458611
[2-(3-phenylmethoxyphenyl)-4-pyridinyl]methanamine
CID 171365592
7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 1478926
2-benzylsulfanyl-7-[4-[(4-chlorophenyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66491550
2-(methoxymethyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 47001682
7-[4-[(4-chlorophenyl)methoxy]phenyl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66498301
5-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine
CID 164893342

Frequently Asked Questions

What is the IUPAC name of 7-(3-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 7-(3-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 11209321) is 7-(3-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 7-(3-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 7-(3-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is Nc1nc2nccc(-c3cccc(OCc4ccccc4)c3)n2n1.
What is the InChIKey of 7-(3-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is HFCPFJFDWCMTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c19-17-21-18-20-10-9-16(23(18)22-17)14-7-4-8-15(11-14)24-12-13-5-2-1-3-6-13/h1-11H,12H2,(H2,19,22).
What are the key properties of 7-(3-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
7-(3-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 317.35 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 11209321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).