N-methyl-1-(3-quinolin-6-yltriazol-4-yl)methanamine

C13H13N5 — CID 107451575

IUPACN-methyl-1-(3-quinolin-6-yltriazol-4-yl)methanamine
SMILESCNCc1cnnn1-c1ccc2ncccc2c1
InChIInChI=1S/C13H13N5/c1-14-8-12-9-16-17-18(12)11-4-5-13-10(7-11)3-2-6-15-13/h2-7,9,14H,8H2,1H3
InChIKeyAILYTTVWGHZYSI-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.53
Rot. Bonds3

About N-methyl-1-(3-quinolin-6-yltriazol-4-yl)methanamine

N-methyl-1-(3-quinolin-6-yltriazol-4-yl)methanamine (PubChem CID 107451575) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is N-methyl-1-(3-quinolin-6-yltriazol-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-quinolin-6-yltriazol-4-yl)methanamine
PubChem CID107451575
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC NameN-methyl-1-(3-quinolin-6-yltriazol-4-yl)methanamine
SMILESCNCc1cnnn1-c1ccc2ncccc2c1
InChIInChI=1S/C13H13N5/c1-14-8-12-9-16-17-18(12)11-4-5-13-10(7-11)3-2-6-15-13/h2-7,9,14H,8H2,1H3
InChIKeyAILYTTVWGHZYSI-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(methylaminomethyl)triazol-1-yl]phenol
CID 117167374
N-methyl-1-quinolin-6-ylimidazol-2-amine
CID 106570148
2-methyl-N-[(1-quinolin-6-yltriazol-4-yl)methyl]propan-2-amine
CID 66206720
1-(5-methyl-1-quinolin-6-yltriazol-4-yl)ethanamine
CID 55097451
3-propan-2-yl-1-quinolin-6-ylpyrazol-5-amine
CID 67254757
N-methyl-1-(5-quinolin-6-ylthiophen-2-yl)methanamine
CID 62635117
1-[3-(2-fluoro-6-methylphenyl)triazol-4-yl]-N-methylmethanamine
CID 107451888
1-[3-(4-bromo-2-fluorophenyl)triazol-4-yl]-N-methylmethanamine
CID 107451386
6-[4-(bromomethyl)triazol-1-yl]quinoline
CID 62634784
2-(methylamino)-1-quinolin-6-ylethanone
CID 84669481
N-[[3-(1-benzothiophen-5-yl)triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 107451670
2-fluoro-5-[5-(propylaminomethyl)triazol-1-yl]benzonitrile
CID 107451547

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-quinolin-6-yltriazol-4-yl)methanamine?
The IUPAC name of N-methyl-1-(3-quinolin-6-yltriazol-4-yl)methanamine (CID 107451575) is N-methyl-1-(3-quinolin-6-yltriazol-4-yl)methanamine.
What is the SMILES notation for N-methyl-1-(3-quinolin-6-yltriazol-4-yl)methanamine?
The canonical SMILES for N-methyl-1-(3-quinolin-6-yltriazol-4-yl)methanamine is CNCc1cnnn1-c1ccc2ncccc2c1.
What is the InChIKey of N-methyl-1-(3-quinolin-6-yltriazol-4-yl)methanamine?
The InChIKey is AILYTTVWGHZYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-14-8-12-9-16-17-18(12)11-4-5-13-10(7-11)3-2-6-15-13/h2-7,9,14H,8H2,1H3.
What are the key properties of N-methyl-1-(3-quinolin-6-yltriazol-4-yl)methanamine?
N-methyl-1-(3-quinolin-6-yltriazol-4-yl)methanamine has a molecular weight of 239.28 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-quinolin-6-yltriazol-4-yl)methanamine is sourced from PubChem (CID 107451575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).