1-[1-(quinolin-6-ylmethyl)triazol-4-yl]ethanamine

C14H15N5 — CID 114419542

IUPAC1-[1-(quinolin-6-ylmethyl)triazol-4-yl]ethanamine
SMILESCC(N)c1cn(Cc2ccc3ncccc3c2)nn1
InChIInChI=1S/C14H15N5/c1-10(15)14-9-19(18-17-14)8-11-4-5-13-12(7-11)3-2-6-16-13/h2-7,9-10H,8,15H2,1H3
InChIKeyJQBKDSBKGFJXMJ-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.89
Rot. Bonds3

About 1-[1-(quinolin-6-ylmethyl)triazol-4-yl]ethanamine

1-[1-(quinolin-6-ylmethyl)triazol-4-yl]ethanamine (PubChem CID 114419542) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-[1-(quinolin-6-ylmethyl)triazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(quinolin-6-ylmethyl)triazol-4-yl]ethanamine
PubChem CID114419542
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name1-[1-(quinolin-6-ylmethyl)triazol-4-yl]ethanamine
SMILESCC(N)c1cn(Cc2ccc3ncccc3c2)nn1
InChIInChI=1S/C14H15N5/c1-10(15)14-9-19(18-17-14)8-11-4-5-13-12(7-11)3-2-6-16-13/h2-7,9-10H,8,15H2,1H3
InChIKeyJQBKDSBKGFJXMJ-UHFFFAOYSA-N
XLogP1.89
TPSA69.62 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 ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(quinolin-6-ylmethyl)triazol-4-yl]ethanol
CID 81444006
1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanamine
CID 59341949
4-[[4-(1-aminoethyl)triazol-1-yl]methyl]phenol
CID 114419757
N-methyl-N-[[1-(quinolin-6-ylmethyl)triazol-4-yl]methyl]acetamide
CID 154780881
1-methyl-N-[[1-(quinolin-6-ylmethyl)triazol-4-yl]methyl]piperidin-4-amine
CID 146081748
4-methyl-1-quinolin-6-ylpentan-3-amine
CID 81224108
1-[1-(thiophen-3-ylmethyl)triazol-4-yl]ethanamine
CID 114420053
1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanol
CID 59341838
N-[[1-(quinolin-6-ylmethyl)triazol-4-yl]methyl]cyclopropanesulfonamide
CID 154782396
4-amino-1-(quinolin-6-ylmethyl)pyrazole-3-carboxylic acid
CID 107344350
1-[1-[(2-fluorophenyl)methyl]triazol-4-yl]ethanamine
CID 114420088
1-(1-quinolin-6-yltriazol-4-yl)ethanol
CID 81444375

Frequently Asked Questions

What is the IUPAC name of 1-[1-(quinolin-6-ylmethyl)triazol-4-yl]ethanamine?
The IUPAC name of 1-[1-(quinolin-6-ylmethyl)triazol-4-yl]ethanamine (CID 114419542) is 1-[1-(quinolin-6-ylmethyl)triazol-4-yl]ethanamine.
What is the SMILES notation for 1-[1-(quinolin-6-ylmethyl)triazol-4-yl]ethanamine?
The canonical SMILES for 1-[1-(quinolin-6-ylmethyl)triazol-4-yl]ethanamine is CC(N)c1cn(Cc2ccc3ncccc3c2)nn1.
What is the InChIKey of 1-[1-(quinolin-6-ylmethyl)triazol-4-yl]ethanamine?
The InChIKey is JQBKDSBKGFJXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-10(15)14-9-19(18-17-14)8-11-4-5-13-12(7-11)3-2-6-16-13/h2-7,9-10H,8,15H2,1H3.
What are the key properties of 1-[1-(quinolin-6-ylmethyl)triazol-4-yl]ethanamine?
1-[1-(quinolin-6-ylmethyl)triazol-4-yl]ethanamine has a molecular weight of 253.31 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(quinolin-6-ylmethyl)triazol-4-yl]ethanamine is sourced from PubChem (CID 114419542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).