2-[1-(quinolin-4-ylmethyl)triazol-4-yl]propan-2-amine

C15H17N5 — CID 79240875

IUPAC2-[1-(quinolin-4-ylmethyl)triazol-4-yl]propan-2-amine
SMILESCC(C)(N)c1cn(Cc2ccnc3ccccc23)nn1
InChIInChI=1S/C15H17N5/c1-15(2,16)14-10-20(19-18-14)9-11-7-8-17-13-6-4-3-5-12(11)13/h3-8,10H,9,16H2,1-2H3
InChIKeySIGBJIIJQWDUPK-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.07
Rot. Bonds3

About 2-[1-(quinolin-4-ylmethyl)triazol-4-yl]propan-2-amine

2-[1-(quinolin-4-ylmethyl)triazol-4-yl]propan-2-amine (PubChem CID 79240875) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 2-[1-(quinolin-4-ylmethyl)triazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name2-[1-(quinolin-4-ylmethyl)triazol-4-yl]propan-2-amine
PubChem CID79240875
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name2-[1-(quinolin-4-ylmethyl)triazol-4-yl]propan-2-amine
SMILESCC(C)(N)c1cn(Cc2ccnc3ccccc23)nn1
InChIInChI=1S/C15H17N5/c1-15(2,16)14-10-20(19-18-14)9-11-7-8-17-13-6-4-3-5-12(11)13/h3-8,10H,9,16H2,1-2H3
InChIKeySIGBJIIJQWDUPK-UHFFFAOYSA-N
XLogP2.07
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(quinolin-4-ylmethyl)triazol-4-yl]propan-2-amine?
The IUPAC name of 2-[1-(quinolin-4-ylmethyl)triazol-4-yl]propan-2-amine (CID 79240875) is 2-[1-(quinolin-4-ylmethyl)triazol-4-yl]propan-2-amine.
What is the SMILES notation for 2-[1-(quinolin-4-ylmethyl)triazol-4-yl]propan-2-amine?
The canonical SMILES for 2-[1-(quinolin-4-ylmethyl)triazol-4-yl]propan-2-amine is CC(C)(N)c1cn(Cc2ccnc3ccccc23)nn1.
What is the InChIKey of 2-[1-(quinolin-4-ylmethyl)triazol-4-yl]propan-2-amine?
The InChIKey is SIGBJIIJQWDUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-15(2,16)14-10-20(19-18-14)9-11-7-8-17-13-6-4-3-5-12(11)13/h3-8,10H,9,16H2,1-2H3.
What are the key properties of 2-[1-(quinolin-4-ylmethyl)triazol-4-yl]propan-2-amine?
2-[1-(quinolin-4-ylmethyl)triazol-4-yl]propan-2-amine has a molecular weight of 267.34 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(quinolin-4-ylmethyl)triazol-4-yl]propan-2-amine is sourced from PubChem (CID 79240875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).