N-[2-(fluoromethyl)-3H-benzimidazol-5-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C14H12FN7 — CID 70987262

IUPACN-[2-(fluoromethyl)-3H-benzimidazol-5-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2ccc3nc(CF)[nH]c3c2)n2ncnc2n1
InChIInChI=1S/C14H12FN7/c1-8-4-13(22-14(18-8)16-7-17-22)19-9-2-3-10-11(5-9)21-12(6-15)20-10/h2-5,7,19H,6H2,1H3,(H,20,21)
InChIKeyXJBCPYYYAMJSIM-UHFFFAOYSA-N
MW297.30 g/mol
LogP2.52
Rot. Bonds3

About N-[2-(fluoromethyl)-3H-benzimidazol-5-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-[2-(fluoromethyl)-3H-benzimidazol-5-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 70987262) has the molecular formula C14H12FN7 and a molecular weight of 297.30 g/mol. Its IUPAC name is N-[2-(fluoromethyl)-3H-benzimidazol-5-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[2-(fluoromethyl)-3H-benzimidazol-5-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID70987262
Molecular FormulaC14H12FN7
Molecular Weight297.30 g/mol
Exact Mass297.11
IUPAC NameN-[2-(fluoromethyl)-3H-benzimidazol-5-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2ccc3nc(CF)[nH]c3c2)n2ncnc2n1
InChIInChI=1S/C14H12FN7/c1-8-4-13(22-14(18-8)16-7-17-22)19-9-2-3-10-11(5-9)21-12(6-15)20-10/h2-5,7,19H,6H2,1H3,(H,20,21)
InChIKeyXJBCPYYYAMJSIM-UHFFFAOYSA-N
XLogP2.52
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(fluoromethyl)-3H-benzimidazol-5-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[2-(fluoromethyl)-3H-benzimidazol-5-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 70987262) is N-[2-(fluoromethyl)-3H-benzimidazol-5-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[2-(fluoromethyl)-3H-benzimidazol-5-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[2-(fluoromethyl)-3H-benzimidazol-5-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(Nc2ccc3nc(CF)[nH]c3c2)n2ncnc2n1.
What is the InChIKey of N-[2-(fluoromethyl)-3H-benzimidazol-5-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is XJBCPYYYAMJSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN7/c1-8-4-13(22-14(18-8)16-7-17-22)19-9-2-3-10-11(5-9)21-12(6-15)20-10/h2-5,7,19H,6H2,1H3,(H,20,21).
What are the key properties of N-[2-(fluoromethyl)-3H-benzimidazol-5-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[2-(fluoromethyl)-3H-benzimidazol-5-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 297.30 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(fluoromethyl)-3H-benzimidazol-5-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 70987262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).