2-[4-[(quinolin-8-ylmethylamino)methyl]triazol-1-yl]ethanol

C15H17N5O — CID 81427814

IUPAC2-[4-[(quinolin-8-ylmethylamino)methyl]triazol-1-yl]ethanol
SMILESOCCn1cc(CNCc2cccc3cccnc23)nn1
InChIInChI=1S/C15H17N5O/c21-8-7-20-11-14(18-19-20)10-16-9-13-4-1-3-12-5-2-6-17-15(12)13/h1-6,11,16,21H,7-10H2
InChIKeyHVIJREHMVGZAGP-UHFFFAOYSA-N
MW283.34 g/mol
LogP1.11
Rot. Bonds6

About 2-[4-[(quinolin-8-ylmethylamino)methyl]triazol-1-yl]ethanol

2-[4-[(quinolin-8-ylmethylamino)methyl]triazol-1-yl]ethanol (PubChem CID 81427814) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is 2-[4-[(quinolin-8-ylmethylamino)methyl]triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(quinolin-8-ylmethylamino)methyl]triazol-1-yl]ethanol
PubChem CID81427814
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name2-[4-[(quinolin-8-ylmethylamino)methyl]triazol-1-yl]ethanol
SMILESOCCn1cc(CNCc2cccc3cccnc23)nn1
InChIInChI=1S/C15H17N5O/c21-8-7-20-11-14(18-19-20)10-16-9-13-4-1-3-12-5-2-6-17-15(12)13/h1-6,11,16,21H,7-10H2
InChIKeyHVIJREHMVGZAGP-UHFFFAOYSA-N
XLogP1.11
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[3-(quinolin-8-ylamino)propyl]triazol-4-yl]ethanol
CID 162640094
5-(quinolin-8-ylmethylamino)pentan-1-ol
CID 81427382
2-[4-[(prop-2-ynylamino)methyl]triazol-1-yl]ethanol
CID 66270343
3-methyl-4-(quinolin-8-ylmethylamino)butan-1-ol
CID 66089220
1-(2,3-dimethylphenyl)-N-(quinolin-8-ylmethyl)methanamine
CID 78980832
2-(quinolin-8-ylmethylamino)acetic acid
CID 43135065
1-(furan-3-yl)-N-(quinolin-8-ylmethyl)methanamine
CID 113224554
2-[4-[[(3,4-difluorophenyl)methylamino]methyl]triazol-1-yl]ethanol
CID 66270581
2-[4-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]triazol-1-yl]ethanol
CID 103292077
N-(pyrimidin-5-ylmethyl)-1-quinolin-8-ylmethanamine
CID 78921379
2-chloro-N-(quinolin-8-ylmethyl)prop-2-en-1-amine
CID 79003767
N-(1H-pyrrol-2-ylmethyl)-1-quinolin-8-ylmethanamine
CID 81428748

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(quinolin-8-ylmethylamino)methyl]triazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(quinolin-8-ylmethylamino)methyl]triazol-1-yl]ethanol (CID 81427814) is 2-[4-[(quinolin-8-ylmethylamino)methyl]triazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(quinolin-8-ylmethylamino)methyl]triazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(quinolin-8-ylmethylamino)methyl]triazol-1-yl]ethanol is OCCn1cc(CNCc2cccc3cccnc23)nn1.
What is the InChIKey of 2-[4-[(quinolin-8-ylmethylamino)methyl]triazol-1-yl]ethanol?
The InChIKey is HVIJREHMVGZAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c21-8-7-20-11-14(18-19-20)10-16-9-13-4-1-3-12-5-2-6-17-15(12)13/h1-6,11,16,21H,7-10H2.
What are the key properties of 2-[4-[(quinolin-8-ylmethylamino)methyl]triazol-1-yl]ethanol?
2-[4-[(quinolin-8-ylmethylamino)methyl]triazol-1-yl]ethanol has a molecular weight of 283.34 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(quinolin-8-ylmethylamino)methyl]triazol-1-yl]ethanol is sourced from PubChem (CID 81427814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).