5-methyl-1-(quinolin-8-ylmethyl)triazol-4-amine

C13H13N5 — CID 79542110

IUPAC5-methyl-1-(quinolin-8-ylmethyl)triazol-4-amine
SMILESCc1c(N)nnn1Cc1cccc2cccnc12
InChIInChI=1S/C13H13N5/c1-9-13(14)16-17-18(9)8-11-5-2-4-10-6-3-7-15-12(10)11/h2-7H,8,14H2,1H3
InChIKeyBBRYOCANINBOAL-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.77
Rot. Bonds2

About 5-methyl-1-(quinolin-8-ylmethyl)triazol-4-amine

5-methyl-1-(quinolin-8-ylmethyl)triazol-4-amine (PubChem CID 79542110) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 5-methyl-1-(quinolin-8-ylmethyl)triazol-4-amine.

Molecular Properties

Compound Name5-methyl-1-(quinolin-8-ylmethyl)triazol-4-amine
PubChem CID79542110
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name5-methyl-1-(quinolin-8-ylmethyl)triazol-4-amine
SMILESCc1c(N)nnn1Cc1cccc2cccnc12
InChIInChI=1S/C13H13N5/c1-9-13(14)16-17-18(9)8-11-5-2-4-10-6-3-7-15-12(10)11/h2-7H,8,14H2,1H3
InChIKeyBBRYOCANINBOAL-UHFFFAOYSA-N
XLogP1.77
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(quinolin-8-ylmethyl)triazol-4-amine?
The IUPAC name of 5-methyl-1-(quinolin-8-ylmethyl)triazol-4-amine (CID 79542110) is 5-methyl-1-(quinolin-8-ylmethyl)triazol-4-amine.
What is the SMILES notation for 5-methyl-1-(quinolin-8-ylmethyl)triazol-4-amine?
The canonical SMILES for 5-methyl-1-(quinolin-8-ylmethyl)triazol-4-amine is Cc1c(N)nnn1Cc1cccc2cccnc12.
What is the InChIKey of 5-methyl-1-(quinolin-8-ylmethyl)triazol-4-amine?
The InChIKey is BBRYOCANINBOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-9-13(14)16-17-18(9)8-11-5-2-4-10-6-3-7-15-12(10)11/h2-7H,8,14H2,1H3.
What are the key properties of 5-methyl-1-(quinolin-8-ylmethyl)triazol-4-amine?
5-methyl-1-(quinolin-8-ylmethyl)triazol-4-amine has a molecular weight of 239.28 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(quinolin-8-ylmethyl)triazol-4-amine is sourced from PubChem (CID 79542110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).