N-[(1-methyl-1,2,4-triazol-3-yl)methyl]quinolin-4-amine

C13H13N5 — CID 103883678

IUPACN-[(1-methyl-1,2,4-triazol-3-yl)methyl]quinolin-4-amine
SMILESCn1cnc(CNc2ccnc3ccccc23)n1
InChIInChI=1S/C13H13N5/c1-18-9-16-13(17-18)8-15-12-6-7-14-11-5-3-2-4-10(11)12/h2-7,9H,8H2,1H3,(H,14,15)
InChIKeyRVLYFZFRTWWPMU-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.98
Rot. Bonds3

About N-[(1-methyl-1,2,4-triazol-3-yl)methyl]quinolin-4-amine

N-[(1-methyl-1,2,4-triazol-3-yl)methyl]quinolin-4-amine (PubChem CID 103883678) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is N-[(1-methyl-1,2,4-triazol-3-yl)methyl]quinolin-4-amine.

Molecular Properties

Compound NameN-[(1-methyl-1,2,4-triazol-3-yl)methyl]quinolin-4-amine
PubChem CID103883678
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC NameN-[(1-methyl-1,2,4-triazol-3-yl)methyl]quinolin-4-amine
SMILESCn1cnc(CNc2ccnc3ccccc23)n1
InChIInChI=1S/C13H13N5/c1-18-9-16-13(17-18)8-15-12-6-7-14-11-5-3-2-4-10(11)12/h2-7,9H,8H2,1H3,(H,14,15)
InChIKeyRVLYFZFRTWWPMU-UHFFFAOYSA-N
XLogP1.98
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-1,2,4-triazol-3-yl)methyl]quinolin-4-amine?
The IUPAC name of N-[(1-methyl-1,2,4-triazol-3-yl)methyl]quinolin-4-amine (CID 103883678) is N-[(1-methyl-1,2,4-triazol-3-yl)methyl]quinolin-4-amine.
What is the SMILES notation for N-[(1-methyl-1,2,4-triazol-3-yl)methyl]quinolin-4-amine?
The canonical SMILES for N-[(1-methyl-1,2,4-triazol-3-yl)methyl]quinolin-4-amine is Cn1cnc(CNc2ccnc3ccccc23)n1.
What is the InChIKey of N-[(1-methyl-1,2,4-triazol-3-yl)methyl]quinolin-4-amine?
The InChIKey is RVLYFZFRTWWPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-18-9-16-13(17-18)8-15-12-6-7-14-11-5-3-2-4-10(11)12/h2-7,9H,8H2,1H3,(H,14,15).
What are the key properties of N-[(1-methyl-1,2,4-triazol-3-yl)methyl]quinolin-4-amine?
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]quinolin-4-amine has a molecular weight of 239.28 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-1,2,4-triazol-3-yl)methyl]quinolin-4-amine is sourced from PubChem (CID 103883678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).