6-butan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;ethane

C12H19N3 — CID 155719641

IUPAC6-butan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;ethane
SMILESCC.CCC(C)c1ccc2nncn2c1
InChIInChI=1S/C10H13N3.C2H6/c1-3-8(2)9-4-5-10-12-11-7-13(10)6-9;1-2/h4-8H,3H2,1-2H3;1-2H3
InChIKeyDUIPTJCVTMREPC-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.27
Rot. Bonds2

About 6-butan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;ethane

6-butan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;ethane (PubChem CID 155719641) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 6-butan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;ethane.

Molecular Properties

Compound Name6-butan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;ethane
PubChem CID155719641
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name6-butan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;ethane
SMILESCC.CCC(C)c1ccc2nncn2c1
InChIInChI=1S/C10H13N3.C2H6/c1-3-8(2)9-4-5-10-12-11-7-13(10)6-9;1-2/h4-8H,3H2,1-2H3;1-2H3
InChIKeyDUIPTJCVTMREPC-UHFFFAOYSA-N
XLogP3.27
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-iodo-[1,2,4]triazolo[4,3-a]pyridine
CID 69371559
N-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine
CID 83866629
2-(4-chloro-6-oxo-3-propan-2-ylpyridazin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide
CID 175788028
3-butan-2-yl-1-methylpyrrole
CID 58652042
[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
CID 82417711
N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 112843796
1-butan-2-yl-4-chlorobenzene;ethane
CID 91162250
7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 59291756
N-[1-[4-(azetidin-1-ylmethyl)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 164614195
6,8-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 177282799
4-butan-2-yl-N-methylaniline
CID 22675641
3-(4-butan-2-ylphenyl)-4,5-dimethylpyridazine
CID 157019762

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;ethane?
The IUPAC name of 6-butan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;ethane (CID 155719641) is 6-butan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;ethane.
What is the SMILES notation for 6-butan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;ethane?
The canonical SMILES for 6-butan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;ethane is CC.CCC(C)c1ccc2nncn2c1.
What is the InChIKey of 6-butan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;ethane?
The InChIKey is DUIPTJCVTMREPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3.C2H6/c1-3-8(2)9-4-5-10-12-11-7-13(10)6-9;1-2/h4-8H,3H2,1-2H3;1-2H3.
What are the key properties of 6-butan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;ethane?
6-butan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;ethane has a molecular weight of 205.30 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;ethane is sourced from PubChem (CID 155719641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).