(8-benzyl-5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methanamine

C15H17N5 — CID 82166971

IUPAC(8-benzyl-5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methanamine
SMILESCc1nc(C)n2c(CN)nnc2c1Cc1ccccc1
InChIInChI=1S/C15H17N5/c1-10-13(8-12-6-4-3-5-7-12)15-19-18-14(9-16)20(15)11(2)17-10/h3-7H,8-9,16H2,1-2H3
InChIKeyYBLNNIXMXZHLOY-UHFFFAOYSA-N
MW267.34 g/mol
LogP1.79
Rot. Bonds3

About (8-benzyl-5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methanamine

(8-benzyl-5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methanamine (PubChem CID 82166971) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is (8-benzyl-5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methanamine.

Molecular Properties

Compound Name(8-benzyl-5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methanamine
PubChem CID82166971
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name(8-benzyl-5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methanamine
SMILESCc1nc(C)n2c(CN)nnc2c1Cc1ccccc1
InChIInChI=1S/C15H17N5/c1-10-13(8-12-6-4-3-5-7-12)15-19-18-14(9-16)20(15)11(2)17-10/h3-7H,8-9,16H2,1-2H3
InChIKeyYBLNNIXMXZHLOY-UHFFFAOYSA-N
XLogP1.79
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-benzyl-4,6-dimethylpyrimidin-5-yl)methanamine
CID 28916465
8-benzyl-7-methyl-3-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 43817370
(4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)methanamine
CID 82167293
2-[(5-amino-8-benzyl-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-N,N-diethylacetamide
CID 1434095
2-amino-5-benzyl-4-methyl-1H-pyrimidin-6-one
CID 135469356
2-[(5-amino-8-benzyl-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 3227869
3,4-dibenzyl-2,6-dimethylpyridine
CID 139645873
2-[(5-amino-8-benzyl-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-1-(2,3-dihydroindol-1-yl)ethanone
CID 1434204
2-[4,6-dimethyl-2-(2-phenylethyl)pyrimidin-5-yl]ethanamine
CID 62746647
benzylbenzene;ethane;methanamine
CID 54117827
5-benzyl-4-methoxy-6-methyl-2-phenylpyrimidine
CID 2223258
(1-benzyl-4-methylimidazol-2-yl)methanamine
CID 130214981

Frequently Asked Questions

What is the IUPAC name of (8-benzyl-5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methanamine?
The IUPAC name of (8-benzyl-5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methanamine (CID 82166971) is (8-benzyl-5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methanamine.
What is the SMILES notation for (8-benzyl-5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methanamine?
The canonical SMILES for (8-benzyl-5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methanamine is Cc1nc(C)n2c(CN)nnc2c1Cc1ccccc1.
What is the InChIKey of (8-benzyl-5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methanamine?
The InChIKey is YBLNNIXMXZHLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-10-13(8-12-6-4-3-5-7-12)15-19-18-14(9-16)20(15)11(2)17-10/h3-7H,8-9,16H2,1-2H3.
What are the key properties of (8-benzyl-5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methanamine?
(8-benzyl-5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methanamine has a molecular weight of 267.34 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8-benzyl-5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methanamine is sourced from PubChem (CID 82166971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).