8-methyl-N-[(3-methyltriazol-4-yl)methyl]quinolin-5-amine

C14H15N5 — CID 115743584

IUPAC8-methyl-N-[(3-methyltriazol-4-yl)methyl]quinolin-5-amine
SMILESCc1ccc(NCc2cnnn2C)c2cccnc12
InChIInChI=1S/C14H15N5/c1-10-5-6-13(12-4-3-7-15-14(10)12)16-8-11-9-17-18-19(11)2/h3-7,9,16H,8H2,1-2H3
InChIKeyJZHLZGUEJYFBGW-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.28
Rot. Bonds3

About 8-methyl-N-[(3-methyltriazol-4-yl)methyl]quinolin-5-amine

8-methyl-N-[(3-methyltriazol-4-yl)methyl]quinolin-5-amine (PubChem CID 115743584) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 8-methyl-N-[(3-methyltriazol-4-yl)methyl]quinolin-5-amine.

Molecular Properties

Compound Name8-methyl-N-[(3-methyltriazol-4-yl)methyl]quinolin-5-amine
PubChem CID115743584
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name8-methyl-N-[(3-methyltriazol-4-yl)methyl]quinolin-5-amine
SMILESCc1ccc(NCc2cnnn2C)c2cccnc12
InChIInChI=1S/C14H15N5/c1-10-5-6-13(12-4-3-7-15-14(10)12)16-8-11-9-17-18-19(11)2/h3-7,9,16H,8H2,1-2H3
InChIKeyJZHLZGUEJYFBGW-UHFFFAOYSA-N
XLogP2.28
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-[(3-methyltriazol-4-yl)methyl]quinolin-5-amine?
The IUPAC name of 8-methyl-N-[(3-methyltriazol-4-yl)methyl]quinolin-5-amine (CID 115743584) is 8-methyl-N-[(3-methyltriazol-4-yl)methyl]quinolin-5-amine.
What is the SMILES notation for 8-methyl-N-[(3-methyltriazol-4-yl)methyl]quinolin-5-amine?
The canonical SMILES for 8-methyl-N-[(3-methyltriazol-4-yl)methyl]quinolin-5-amine is Cc1ccc(NCc2cnnn2C)c2cccnc12.
What is the InChIKey of 8-methyl-N-[(3-methyltriazol-4-yl)methyl]quinolin-5-amine?
The InChIKey is JZHLZGUEJYFBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-10-5-6-13(12-4-3-7-15-14(10)12)16-8-11-9-17-18-19(11)2/h3-7,9,16H,8H2,1-2H3.
What are the key properties of 8-methyl-N-[(3-methyltriazol-4-yl)methyl]quinolin-5-amine?
8-methyl-N-[(3-methyltriazol-4-yl)methyl]quinolin-5-amine has a molecular weight of 253.31 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-[(3-methyltriazol-4-yl)methyl]quinolin-5-amine is sourced from PubChem (CID 115743584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).