4-[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3,3-dimethylbutan-1-ol

C12H17ClN4O — CID 114150223

IUPAC4-[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3,3-dimethylbutan-1-ol
SMILESCC(C)(CCO)CNc1nc2ccc(Cl)cn2n1
InChIInChI=1S/C12H17ClN4O/c1-12(2,5-6-18)8-14-11-15-10-4-3-9(13)7-17(10)16-11/h3-4,7,18H,5-6,8H2,1-2H3,(H,14,16)
InChIKeyQOYMXBPWCVHVDY-UHFFFAOYSA-N
MW268.75 g/mol
LogP2.20
Rot. Bonds5

About 4-[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3,3-dimethylbutan-1-ol

4-[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3,3-dimethylbutan-1-ol (PubChem CID 114150223) has the molecular formula C12H17ClN4O and a molecular weight of 268.75 g/mol. Its IUPAC name is 4-[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name4-[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3,3-dimethylbutan-1-ol
PubChem CID114150223
Molecular FormulaC12H17ClN4O
Molecular Weight268.75 g/mol
Exact Mass268.11
IUPAC Name4-[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3,3-dimethylbutan-1-ol
SMILESCC(C)(CCO)CNc1nc2ccc(Cl)cn2n1
InChIInChI=1S/C12H17ClN4O/c1-12(2,5-6-18)8-14-11-15-10-4-3-9(13)7-17(10)16-11/h3-4,7,18H,5-6,8H2,1-2H3,(H,14,16)
InChIKeyQOYMXBPWCVHVDY-UHFFFAOYSA-N
XLogP2.20
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3,3-dimethylbutan-1-ol with MolForge

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Related Compounds

6-chloro-N-[(4-ethylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106900179
5-[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-2-methylpentan-1-ol
CID 114152105
1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(2-hydroxy-2-methylpropyl)urea
CID 86791264
5-[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]pentan-2-ol
CID 114148456
1-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106257640
6-chloro-N-(4,4,4-trifluorobutan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 114131249
6-chloro-N-[(4-methyl-3-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 114956565
6-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106048230
6-chloro-N-[2-(cyclopenten-1-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106177699
4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-3,3-dimethylbutan-1-ol
CID 106149742
1-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylpropane-1,2-diamine
CID 115303641
6-chloro-N-(1,4-dithian-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 113489449

Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3,3-dimethylbutan-1-ol?
The IUPAC name of 4-[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3,3-dimethylbutan-1-ol (CID 114150223) is 4-[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 4-[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3,3-dimethylbutan-1-ol?
The canonical SMILES for 4-[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3,3-dimethylbutan-1-ol is CC(C)(CCO)CNc1nc2ccc(Cl)cn2n1.
What is the InChIKey of 4-[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3,3-dimethylbutan-1-ol?
The InChIKey is QOYMXBPWCVHVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O/c1-12(2,5-6-18)8-14-11-15-10-4-3-9(13)7-17(10)16-11/h3-4,7,18H,5-6,8H2,1-2H3,(H,14,16).
What are the key properties of 4-[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3,3-dimethylbutan-1-ol?
4-[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3,3-dimethylbutan-1-ol has a molecular weight of 268.75 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 114150223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).