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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-[(quinolin-4-ylamino)methyl]phenyl]methyl]quinolin-4-amine
CID 67723222
N-ethylquinolin-4-amine
CID 15306588
N-(1,2,4-oxadiazol-3-ylmethyl)quinolin-4-amine
CID 106402958
3-chloro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyridin-4-amine
CID 103883635
2,3-dimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]quinolin-4-amine
CID 133452088
N-[(1,5-dimethylpyrazol-4-yl)methyl]quinolin-4-amine
CID 103858286
N-[(2-methylpyrimidin-4-yl)methyl]quinolin-4-amine
CID 61341548
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]quinolin-2-amine
CID 103883776
N-methyl-N'-quinolin-4-ylethane-1,2-diamine
CID 62658935
3-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-2-carbothioamide
CID 114125573
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinolin-4-amine
CID 78954722
N-(2,5-dimethylpyrrol-1-yl)quinolin-4-amine
CID 79106887

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).