N-benzhydryl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C19H17N5 — CID 32678340

IUPACN-benzhydryl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC(c2ccccc2)c2ccccc2)n2ncnc2n1
InChIInChI=1S/C19H17N5/c1-14-12-17(24-19(22-14)20-13-21-24)23-18(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-13,18,23H,1H3
InChIKeyBRSXDXJWBMLSSX-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.63
Rot. Bonds4

About N-benzhydryl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-benzhydryl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 32678340) has the molecular formula C19H17N5 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-benzhydryl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-benzhydryl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID32678340
Molecular FormulaC19H17N5
Molecular Weight315.38 g/mol
Exact Mass315.15
IUPAC NameN-benzhydryl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC(c2ccccc2)c2ccccc2)n2ncnc2n1
InChIInChI=1S/C19H17N5/c1-14-12-17(24-19(22-14)20-13-21-24)23-18(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-13,18,23H,1H3
InChIKeyBRSXDXJWBMLSSX-UHFFFAOYSA-N
XLogP3.63
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-benzhydryl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 32678340) is N-benzhydryl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-benzhydryl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-benzhydryl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NC(c2ccccc2)c2ccccc2)n2ncnc2n1.
What is the InChIKey of N-benzhydryl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is BRSXDXJWBMLSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5/c1-14-12-17(24-19(22-14)20-13-21-24)23-18(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-13,18,23H,1H3.
What are the key properties of N-benzhydryl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-benzhydryl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 315.38 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 32678340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).