3-benzyl-5-phenyltriazolo[4,5-d]pyrimidin-7-amine

C17H14N6 — CID 10063481

IUPAC3-benzyl-5-phenyltriazolo[4,5-d]pyrimidin-7-amine
SMILESNc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1
InChIInChI=1S/C17H14N6/c18-15-14-17(20-16(19-15)13-9-5-2-6-10-13)23(22-21-14)11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,18,19,20)
InChIKeyMYSWGJASKRUDKS-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.52
Rot. Bonds3

About 3-benzyl-5-phenyltriazolo[4,5-d]pyrimidin-7-amine

3-benzyl-5-phenyltriazolo[4,5-d]pyrimidin-7-amine (PubChem CID 10063481) has the molecular formula C17H14N6 and a molecular weight of 302.34 g/mol. Its IUPAC name is 3-benzyl-5-phenyltriazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name3-benzyl-5-phenyltriazolo[4,5-d]pyrimidin-7-amine
PubChem CID10063481
Molecular FormulaC17H14N6
Molecular Weight302.34 g/mol
Exact Mass302.13
IUPAC Name3-benzyl-5-phenyltriazolo[4,5-d]pyrimidin-7-amine
SMILESNc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1
InChIInChI=1S/C17H14N6/c18-15-14-17(20-16(19-15)13-9-5-2-6-10-13)23(22-21-14)11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,18,19,20)
InChIKeyMYSWGJASKRUDKS-UHFFFAOYSA-N
XLogP2.52
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Benzylaminopurine
CID 62389
9-(2-phenylethyl)-9H-purin-6-amine
CID 309375
N-(2-phenylethyl)-9H-purin-6-amine
CID 756669
8-isopropyl-2,6-diphenyl-9H-purine
CID 11536936
5-Butyl-8-phenyl-3H-[1,2,4]triazolo[5,1-i]purine
CID 135457998
2-[Trans-(4-Aminocyclohexyl)Amino]-6-(Benzyl-Amino)-9-Cyclopentylpurine
CID 3543
2,6,8-triphenyl-9H-purine
CID 11462181
N6-Benzyl-9H-purine-2,6-diamine
CID 16409607
9-(Phenylmethyl)-9H-purin-6-amine
CID 20262
N-[3-[(2-fluorophenyl)methyl]-5-phenyltriazolo[4,5-d]pyrimidin-7-yl]cyclobutanecarboxamide
CID 71723438
1,3-diphenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 5327820
Mdl-106327DA
CID 9958681

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-phenyltriazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 3-benzyl-5-phenyltriazolo[4,5-d]pyrimidin-7-amine (CID 10063481) is 3-benzyl-5-phenyltriazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 3-benzyl-5-phenyltriazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 3-benzyl-5-phenyltriazolo[4,5-d]pyrimidin-7-amine is Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1.
What is the InChIKey of 3-benzyl-5-phenyltriazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is MYSWGJASKRUDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6/c18-15-14-17(20-16(19-15)13-9-5-2-6-10-13)23(22-21-14)11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,18,19,20).
What are the key properties of 3-benzyl-5-phenyltriazolo[4,5-d]pyrimidin-7-amine?
3-benzyl-5-phenyltriazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 302.34 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-phenyltriazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 10063481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).