2-methyl-N-[(1-quinolin-6-yltriazol-4-yl)methyl]propan-2-amine

C16H19N5 — CID 66206720

IUPAC2-methyl-N-[(1-quinolin-6-yltriazol-4-yl)methyl]propan-2-amine
SMILESCC(C)(C)NCc1cn(-c2ccc3ncccc3c2)nn1
InChIInChI=1S/C16H19N5/c1-16(2,3)18-10-13-11-21(20-19-13)14-6-7-15-12(9-14)5-4-8-17-15/h4-9,11,18H,10H2,1-3H3
InChIKeyFNRCWYSFURZHQO-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.70
Rot. Bonds3

About 2-methyl-N-[(1-quinolin-6-yltriazol-4-yl)methyl]propan-2-amine

2-methyl-N-[(1-quinolin-6-yltriazol-4-yl)methyl]propan-2-amine (PubChem CID 66206720) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-methyl-N-[(1-quinolin-6-yltriazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(1-quinolin-6-yltriazol-4-yl)methyl]propan-2-amine
PubChem CID66206720
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name2-methyl-N-[(1-quinolin-6-yltriazol-4-yl)methyl]propan-2-amine
SMILESCC(C)(C)NCc1cn(-c2ccc3ncccc3c2)nn1
InChIInChI=1S/C16H19N5/c1-16(2,3)18-10-13-11-21(20-19-13)14-6-7-15-12(9-14)5-4-8-17-15/h4-9,11,18H,10H2,1-3H3
InChIKeyFNRCWYSFURZHQO-UHFFFAOYSA-N
XLogP2.70
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.70
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-6-yltriazol-4-yl)methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[(1-quinolin-6-yltriazol-4-yl)methyl]propan-2-amine (CID 66206720) is 2-methyl-N-[(1-quinolin-6-yltriazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[(1-quinolin-6-yltriazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[(1-quinolin-6-yltriazol-4-yl)methyl]propan-2-amine is CC(C)(C)NCc1cn(-c2ccc3ncccc3c2)nn1.
What is the InChIKey of 2-methyl-N-[(1-quinolin-6-yltriazol-4-yl)methyl]propan-2-amine?
The InChIKey is FNRCWYSFURZHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-16(2,3)18-10-13-11-21(20-19-13)14-6-7-15-12(9-14)5-4-8-17-15/h4-9,11,18H,10H2,1-3H3.
What are the key properties of 2-methyl-N-[(1-quinolin-6-yltriazol-4-yl)methyl]propan-2-amine?
2-methyl-N-[(1-quinolin-6-yltriazol-4-yl)methyl]propan-2-amine has a molecular weight of 281.36 g/mol, XLogP of 2.70, 3 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-6-yltriazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 66206720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).