(7-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)methanamine

C12H12N4 — CID 115027905

IUPAC(7-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)methanamine
SMILESCc1ccc2c(ccc3nnc(CN)n32)c1
InChIInChI=1S/C12H12N4/c1-8-2-4-10-9(6-8)3-5-11-14-15-12(7-13)16(10)11/h2-6H,7,13H2,1H3
InChIKeyDBJRDHUEGHXQFL-UHFFFAOYSA-N
MW212.26 g/mol
LogP1.65
Rot. Bonds1

About (7-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)methanamine

(7-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)methanamine (PubChem CID 115027905) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is (7-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)methanamine.

Molecular Properties

Compound Name(7-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)methanamine
PubChem CID115027905
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name(7-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)methanamine
SMILESCc1ccc2c(ccc3nnc(CN)n32)c1
InChIInChI=1S/C12H12N4/c1-8-2-4-10-9(6-8)3-5-11-14-15-12(7-13)16(10)11/h2-6H,7,13H2,1H3
InChIKeyDBJRDHUEGHXQFL-UHFFFAOYSA-N
XLogP1.65
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-[1,2,4]triazolo[4,3-a]quinolin-7-ol
CID 115028680
3-(7-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)propan-1-ol
CID 115044199
1-(hydroxymethyl)-[1,2,4]triazolo[4,3-a]quinolin-7-ol
CID 115028975
(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine
CID 55266770
2-([1,2,4]triazolo[4,3-a]quinolin-1-yl)ethanamine
CID 82167050
(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanamine
CID 62043689
(5-methyl-1-propan-2-ylbenzimidazol-2-yl)methanamine
CID 60784993
3-(9-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)propan-1-amine
CID 115043771
2-[2-(aminomethyl)-5-methylbenzimidazol-1-yl]ethanol
CID 82332966
(1-ethyl-6-methylbenzimidazol-2-yl)methanamine
CID 123207150
2-(5-methylindol-1-yl)ethanamine;hydrochloride
CID 91640635
(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methanamine;dihydrochloride
CID 82025953

Frequently Asked Questions

What is the IUPAC name of (7-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)methanamine?
The IUPAC name of (7-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)methanamine (CID 115027905) is (7-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)methanamine.
What is the SMILES notation for (7-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)methanamine?
The canonical SMILES for (7-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)methanamine is Cc1ccc2c(ccc3nnc(CN)n32)c1.
What is the InChIKey of (7-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)methanamine?
The InChIKey is DBJRDHUEGHXQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4/c1-8-2-4-10-9(6-8)3-5-11-14-15-12(7-13)16(10)11/h2-6H,7,13H2,1H3.
What are the key properties of (7-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)methanamine?
(7-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)methanamine has a molecular weight of 212.26 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)methanamine is sourced from PubChem (CID 115027905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).