3-methyl-4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]butan-1-ol

C12H18N4O — CID 66106462

IUPAC3-methyl-4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]butan-1-ol
SMILESCc1cc(NCC(C)CCO)n2ncnc2c1
InChIInChI=1S/C12H18N4O/c1-9(3-4-17)7-13-11-5-10(2)6-12-14-8-15-16(11)12/h5-6,8-9,13,17H,3-4,7H2,1-2H3
InChIKeyPATVQRISBJSITG-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.47
Rot. Bonds5

About 3-methyl-4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]butan-1-ol

3-methyl-4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]butan-1-ol (PubChem CID 66106462) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-methyl-4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]butan-1-ol.

Molecular Properties

Compound Name3-methyl-4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]butan-1-ol
PubChem CID66106462
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name3-methyl-4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]butan-1-ol
SMILESCc1cc(NCC(C)CCO)n2ncnc2c1
InChIInChI=1S/C12H18N4O/c1-9(3-4-17)7-13-11-5-10(2)6-12-14-8-15-16(11)12/h5-6,8-9,13,17H,3-4,7H2,1-2H3
InChIKeyPATVQRISBJSITG-UHFFFAOYSA-N
XLogP1.47
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]butan-1-ol?
The IUPAC name of 3-methyl-4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]butan-1-ol (CID 66106462) is 3-methyl-4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]butan-1-ol.
What is the SMILES notation for 3-methyl-4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]butan-1-ol?
The canonical SMILES for 3-methyl-4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]butan-1-ol is Cc1cc(NCC(C)CCO)n2ncnc2c1.
What is the InChIKey of 3-methyl-4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]butan-1-ol?
The InChIKey is PATVQRISBJSITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-9(3-4-17)7-13-11-5-10(2)6-12-14-8-15-16(11)12/h5-6,8-9,13,17H,3-4,7H2,1-2H3.
What are the key properties of 3-methyl-4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]butan-1-ol?
3-methyl-4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]butan-1-ol has a molecular weight of 234.30 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]butan-1-ol is sourced from PubChem (CID 66106462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).