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

C12H18N4O — CID 71976091

IUPAC1-[methyl([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)amino]butan-2-ol
SMILESCCC(O)CN(C)Cc1nnc2ccccn12
InChIInChI=1S/C12H18N4O/c1-3-10(17)8-15(2)9-12-14-13-11-6-4-5-7-16(11)12/h4-7,10,17H,3,8-9H2,1-2H3
InChIKeyRPJOTVDBRFMSCF-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.93
Rot. Bonds5

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

1-[methyl([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)amino]butan-2-ol (PubChem CID 71976091) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-[methyl([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)amino]butan-2-ol.

Molecular Properties

Compound Name1-[methyl([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)amino]butan-2-ol
PubChem CID71976091
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name1-[methyl([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)amino]butan-2-ol
SMILESCCC(O)CN(C)Cc1nnc2ccccn12
InChIInChI=1S/C12H18N4O/c1-3-10(17)8-15(2)9-12-14-13-11-6-4-5-7-16(11)12/h4-7,10,17H,3,8-9H2,1-2H3
InChIKeyRPJOTVDBRFMSCF-UHFFFAOYSA-N
XLogP0.93
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[methyl([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)amino]butan-2-ol with MolForge

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Related Compounds

3-Amino-(1,2,4)triazolo(4,3-a)pyridine
CID 253286
3-Methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 5308432
2-(3-pyridin-4-yl-4H-1,2,4-triazol-4-yl)butan-1-ol
CID 3235743
(1,2,4)Triazolo(4,3-a)pyridine
CID 249770
3-Chloro-(1,2,4)triazolo(4,3-a)pyridine
CID 249775
Methyl({[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl})amine
CID 24706404
[1,2,4]Triazolo[4,3-a]pyridin-3-ylmethanamine
CID 2466755
2-([1,2,4]Triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 4962484
2-Methyl-1-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}propan-1-amine
CID 24703425
1-{[1,2,4]Triazolo[4,3-a]pyridin-3-yl}butan-1-amine
CID 43630109
(Cyclopropylmethyl)(1-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}ethyl)amine
CID 43685650
3-Bromo-(1,2,4)triazolo(4,3-a)pyridine
CID 12264218

Frequently Asked Questions

What is the IUPAC name of 1-[methyl([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)amino]butan-2-ol?
The IUPAC name of 1-[methyl([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)amino]butan-2-ol (CID 71976091) is 1-[methyl([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)amino]butan-2-ol.
What is the SMILES notation for 1-[methyl([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)amino]butan-2-ol?
The canonical SMILES for 1-[methyl([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)amino]butan-2-ol is CCC(O)CN(C)Cc1nnc2ccccn12.
What is the InChIKey of 1-[methyl([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)amino]butan-2-ol?
The InChIKey is RPJOTVDBRFMSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-3-10(17)8-15(2)9-12-14-13-11-6-4-5-7-16(11)12/h4-7,10,17H,3,8-9H2,1-2H3.
What are the key properties of 1-[methyl([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)amino]butan-2-ol?
1-[methyl([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)amino]butan-2-ol has a molecular weight of 234.30 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)amino]butan-2-ol is sourced from PubChem (CID 71976091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).