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

C12H17ClN4O — CID 114152105

IUPAC5-[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-2-methylpentan-1-ol
SMILESCC(CO)CCCNc1nc2ccc(Cl)cn2n1
InChIInChI=1S/C12H17ClN4O/c1-9(8-18)3-2-6-14-12-15-11-5-4-10(13)7-17(11)16-12/h4-5,7,9,18H,2-3,6,8H2,1H3,(H,14,16)
InChIKeyGKSJUSBBFLATFL-UHFFFAOYSA-N
MW268.75 g/mol
LogP2.20
Rot. Bonds6

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

5-[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-2-methylpentan-1-ol (PubChem CID 114152105) has the molecular formula C12H17ClN4O and a molecular weight of 268.75 g/mol. Its IUPAC name is 5-[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-2-methylpentan-1-ol
PubChem CID114152105
Molecular FormulaC12H17ClN4O
Molecular Weight268.75 g/mol
Exact Mass268.11
IUPAC Name5-[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-2-methylpentan-1-ol
SMILESCC(CO)CCCNc1nc2ccc(Cl)cn2n1
InChIInChI=1S/C12H17ClN4O/c1-9(8-18)3-2-6-14-12-15-11-5-4-10(13)7-17(11)16-12/h4-5,7,9,18H,2-3,6,8H2,1H3,(H,14,16)
InChIKeyGKSJUSBBFLATFL-UHFFFAOYSA-N
XLogP2.20
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]pentan-2-ol
CID 114148456
4-[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3,3-dimethylbutan-1-ol
CID 114150223
6-chloro-N-[(4-ethylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106900179
6-chloro-N-(4,4,4-trifluorobutan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 114131249
6-chloro-N-[2-(cyclopenten-1-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106177699
6-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]hexan-1-ol
CID 107850356
6-methyl-N-(4-propan-2-yloxybutyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106012435
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
5-(2-amino-4-chloroanilino)-2-methylpentan-1-ol
CID 106154375
6-chloro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106282899
1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(2-hydroxy-2-methylpropyl)urea
CID 86791264

Frequently Asked Questions

What is the IUPAC name of 5-[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-2-methylpentan-1-ol?
The IUPAC name of 5-[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-2-methylpentan-1-ol (CID 114152105) is 5-[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-2-methylpentan-1-ol.
What is the SMILES notation for 5-[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-2-methylpentan-1-ol?
The canonical SMILES for 5-[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-2-methylpentan-1-ol is CC(CO)CCCNc1nc2ccc(Cl)cn2n1.
What is the InChIKey of 5-[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-2-methylpentan-1-ol?
The InChIKey is GKSJUSBBFLATFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O/c1-9(8-18)3-2-6-14-12-15-11-5-4-10(13)7-17(11)16-12/h4-5,7,9,18H,2-3,6,8H2,1H3,(H,14,16).
What are the key properties of 5-[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-2-methylpentan-1-ol?
5-[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-2-methylpentan-1-ol has a molecular weight of 268.75 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-2-methylpentan-1-ol is sourced from PubChem (CID 114152105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).