1-(1-quinolin-5-yltriazol-4-yl)butan-1-amine

C15H17N5 — CID 106226684

IUPAC1-(1-quinolin-5-yltriazol-4-yl)butan-1-amine
SMILESCCCC(N)c1cn(-c2cccc3ncccc23)nn1
InChIInChI=1S/C15H17N5/c1-2-5-12(16)14-10-20(19-18-14)15-8-3-7-13-11(15)6-4-9-17-13/h3-4,6-10,12H,2,5,16H2,1H3
InChIKeyAIYQXTFAKQEGQE-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.62
Rot. Bonds4

About 1-(1-quinolin-5-yltriazol-4-yl)butan-1-amine

1-(1-quinolin-5-yltriazol-4-yl)butan-1-amine (PubChem CID 106226684) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 1-(1-quinolin-5-yltriazol-4-yl)butan-1-amine.

Molecular Properties

Compound Name1-(1-quinolin-5-yltriazol-4-yl)butan-1-amine
PubChem CID106226684
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name1-(1-quinolin-5-yltriazol-4-yl)butan-1-amine
SMILESCCCC(N)c1cn(-c2cccc3ncccc23)nn1
InChIInChI=1S/C15H17N5/c1-2-5-12(16)14-10-20(19-18-14)15-8-3-7-13-11(15)6-4-9-17-13/h3-4,6-10,12H,2,5,16H2,1H3
InChIKeyAIYQXTFAKQEGQE-UHFFFAOYSA-N
XLogP2.62
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(1-chloroethyl)triazol-1-yl]quinoline
CID 81444704
1-[1-(3-fluoro-2-methylphenyl)triazol-4-yl]butan-1-amine
CID 106227069
1-[1-(2-iodophenyl)triazol-4-yl]butan-1-amine
CID 106226848
1-[1-(2,5-dimethylphenyl)triazol-4-yl]butan-1-amine
CID 106226787
1-[1-(2,3,4-trifluorophenyl)triazol-4-yl]butan-1-amine
CID 106226734
2-methyl-N-[(1-quinolin-5-yltriazol-4-yl)methyl]propan-1-amine
CID 66207060
1-[1-(3-iodophenyl)triazol-4-yl]butan-1-amine
CID 114160881
1-[1-(2-bromo-4-chlorophenyl)triazol-4-yl]butan-1-amine
CID 106227232
1-(1-naphthalen-1-yltriazol-4-yl)ethanol
CID 81445099
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)triazol-4-yl]butan-1-amine
CID 106226655
1-[1-(3-chloro-2-fluorophenyl)triazol-4-yl]propan-1-amine
CID 106226838
1-[1-(2-chloro-5-nitrophenyl)triazol-4-yl]butan-1-amine
CID 106227104

Frequently Asked Questions

What is the IUPAC name of 1-(1-quinolin-5-yltriazol-4-yl)butan-1-amine?
The IUPAC name of 1-(1-quinolin-5-yltriazol-4-yl)butan-1-amine (CID 106226684) is 1-(1-quinolin-5-yltriazol-4-yl)butan-1-amine.
What is the SMILES notation for 1-(1-quinolin-5-yltriazol-4-yl)butan-1-amine?
The canonical SMILES for 1-(1-quinolin-5-yltriazol-4-yl)butan-1-amine is CCCC(N)c1cn(-c2cccc3ncccc23)nn1.
What is the InChIKey of 1-(1-quinolin-5-yltriazol-4-yl)butan-1-amine?
The InChIKey is AIYQXTFAKQEGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-2-5-12(16)14-10-20(19-18-14)15-8-3-7-13-11(15)6-4-9-17-13/h3-4,6-10,12H,2,5,16H2,1H3.
What are the key properties of 1-(1-quinolin-5-yltriazol-4-yl)butan-1-amine?
1-(1-quinolin-5-yltriazol-4-yl)butan-1-amine has a molecular weight of 267.34 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-quinolin-5-yltriazol-4-yl)butan-1-amine is sourced from PubChem (CID 106226684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).