N-[(1-benzylimidazol-2-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C17H17N7 — CID 133324128

IUPACN-[(1-benzylimidazol-2-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCc2nccn2Cc2ccccc2)n2ncnc2n1
InChIInChI=1S/C17H17N7/c1-13-9-15(24-17(22-13)20-12-21-24)19-10-16-18-7-8-23(16)11-14-5-3-2-4-6-14/h2-9,12,19H,10-11H2,1H3
InChIKeyNZHKHOLRWXUCEX-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.29
Rot. Bonds5

About N-[(1-benzylimidazol-2-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-[(1-benzylimidazol-2-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133324128) has the molecular formula C17H17N7 and a molecular weight of 319.37 g/mol. Its IUPAC name is N-[(1-benzylimidazol-2-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(1-benzylimidazol-2-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133324128
Molecular FormulaC17H17N7
Molecular Weight319.37 g/mol
Exact Mass319.15
IUPAC NameN-[(1-benzylimidazol-2-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCc2nccn2Cc2ccccc2)n2ncnc2n1
InChIInChI=1S/C17H17N7/c1-13-9-15(24-17(22-13)20-12-21-24)19-10-16-18-7-8-23(16)11-14-5-3-2-4-6-14/h2-9,12,19H,10-11H2,1H3
InChIKeyNZHKHOLRWXUCEX-UHFFFAOYSA-N
XLogP2.29
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylimidazol-2-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(1-benzylimidazol-2-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133324128) is N-[(1-benzylimidazol-2-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(1-benzylimidazol-2-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(1-benzylimidazol-2-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCc2nccn2Cc2ccccc2)n2ncnc2n1.
What is the InChIKey of N-[(1-benzylimidazol-2-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is NZHKHOLRWXUCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7/c1-13-9-15(24-17(22-13)20-12-21-24)19-10-16-18-7-8-23(16)11-14-5-3-2-4-6-14/h2-9,12,19H,10-11H2,1H3.
What are the key properties of N-[(1-benzylimidazol-2-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[(1-benzylimidazol-2-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 319.37 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylimidazol-2-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133324128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).