2-methyl-N-[(1-quinolin-5-yltriazol-4-yl)methyl]propan-1-amine

C16H19N5 — CID 66207060

IUPAC2-methyl-N-[(1-quinolin-5-yltriazol-4-yl)methyl]propan-1-amine
SMILESCC(C)CNCc1cn(-c2cccc3ncccc23)nn1
InChIInChI=1S/C16H19N5/c1-12(2)9-17-10-13-11-21(20-19-13)16-7-3-6-15-14(16)5-4-8-18-15/h3-8,11-12,17H,9-10H2,1-2H3
InChIKeyIPBHCSBCSXKZRN-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.56
Rot. Bonds5

About 2-methyl-N-[(1-quinolin-5-yltriazol-4-yl)methyl]propan-1-amine

2-methyl-N-[(1-quinolin-5-yltriazol-4-yl)methyl]propan-1-amine (PubChem CID 66207060) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-methyl-N-[(1-quinolin-5-yltriazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(1-quinolin-5-yltriazol-4-yl)methyl]propan-1-amine
PubChem CID66207060
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name2-methyl-N-[(1-quinolin-5-yltriazol-4-yl)methyl]propan-1-amine
SMILESCC(C)CNCc1cn(-c2cccc3ncccc23)nn1
InChIInChI=1S/C16H19N5/c1-12(2)9-17-10-13-11-21(20-19-13)16-7-3-6-15-14(16)5-4-8-18-15/h3-8,11-12,17H,9-10H2,1-2H3
InChIKeyIPBHCSBCSXKZRN-UHFFFAOYSA-N
XLogP2.56
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-quinolin-5-yltriazol-4-yl)methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[(1-quinolin-5-yltriazol-4-yl)methyl]propan-1-amine (CID 66207060) is 2-methyl-N-[(1-quinolin-5-yltriazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[(1-quinolin-5-yltriazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[(1-quinolin-5-yltriazol-4-yl)methyl]propan-1-amine is CC(C)CNCc1cn(-c2cccc3ncccc23)nn1.
What is the InChIKey of 2-methyl-N-[(1-quinolin-5-yltriazol-4-yl)methyl]propan-1-amine?
The InChIKey is IPBHCSBCSXKZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-12(2)9-17-10-13-11-21(20-19-13)16-7-3-6-15-14(16)5-4-8-18-15/h3-8,11-12,17H,9-10H2,1-2H3.
What are the key properties of 2-methyl-N-[(1-quinolin-5-yltriazol-4-yl)methyl]propan-1-amine?
2-methyl-N-[(1-quinolin-5-yltriazol-4-yl)methyl]propan-1-amine has a molecular weight of 281.36 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-quinolin-5-yltriazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 66207060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).