ethane;2-methyl-5-(4-methyltriazol-1-yl)pyridine

C13H22N4 — CID 157044082

IUPACethane;2-methyl-5-(4-methyltriazol-1-yl)pyridine
SMILESCC.CC.Cc1ccc(-n2cc(C)nn2)cn1
InChIInChI=1S/C9H10N4.2C2H6/c1-7-3-4-9(5-10-7)13-6-8(2)11-12-13;2*1-2/h3-6H,1-2H3;2*1-2H3
InChIKeyOQRMZUQLAAUJJY-UHFFFAOYSA-N
MW234.35 g/mol
LogP3.33
Rot. Bonds1

About ethane;2-methyl-5-(4-methyltriazol-1-yl)pyridine

ethane;2-methyl-5-(4-methyltriazol-1-yl)pyridine (PubChem CID 157044082) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is ethane;2-methyl-5-(4-methyltriazol-1-yl)pyridine.

Molecular Properties

Compound Nameethane;2-methyl-5-(4-methyltriazol-1-yl)pyridine
PubChem CID157044082
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Nameethane;2-methyl-5-(4-methyltriazol-1-yl)pyridine
SMILESCC.CC.Cc1ccc(-n2cc(C)nn2)cn1
InChIInChI=1S/C9H10N4.2C2H6/c1-7-3-4-9(5-10-7)13-6-8(2)11-12-13;2*1-2/h3-6H,1-2H3;2*1-2H3
InChIKeyOQRMZUQLAAUJJY-UHFFFAOYSA-N
XLogP3.33
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methyltriazol-1-yl)pyridin-2-amine
CID 139416951
ethane;1-(4-methoxyphenyl)-4-methyltriazole
CID 143999618
5-fluoro-2-(4-methyltriazol-1-yl)pyrimidine
CID 90463194
1-[4-chloro-3-(difluoromethyl)phenyl]-4-methyltriazole
CID 118870166
ethane;2-(6-methyl-3-pyridinyl)-1,2,6-thiadiazinane
CID 142224390
5-methyl-3-(6-methyl-3-pyridinyl)triazole-4-carboxylic acid
CID 175349693
ethane;1-(6-methyl-3-pyridinyl)pyrrolidin-3-amine
CID 164882777
2-(6-methyl-3-pyridinyl)-1,3-dihydroisoindole
CID 118459671
2-bromo-6-[[2-fluoro-4-(4-methyltriazol-1-yl)phenyl]methoxy]pyridine
CID 166089592
acetic acid;5-methyl-3-(6-methyl-3-pyridinyl)triazole-4-carboxylic acid
CID 175349692
1-[3-fluoro-4-(furan-2-yl)phenyl]-4-methyltriazole
CID 168526998
ethane;1-[1-(6-methyl-3-pyridinyl)piperidin-4-yl]ethanol
CID 156652004

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-5-(4-methyltriazol-1-yl)pyridine?
The IUPAC name of ethane;2-methyl-5-(4-methyltriazol-1-yl)pyridine (CID 157044082) is ethane;2-methyl-5-(4-methyltriazol-1-yl)pyridine.
What is the SMILES notation for ethane;2-methyl-5-(4-methyltriazol-1-yl)pyridine?
The canonical SMILES for ethane;2-methyl-5-(4-methyltriazol-1-yl)pyridine is CC.CC.Cc1ccc(-n2cc(C)nn2)cn1.
What is the InChIKey of ethane;2-methyl-5-(4-methyltriazol-1-yl)pyridine?
The InChIKey is OQRMZUQLAAUJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4.2C2H6/c1-7-3-4-9(5-10-7)13-6-8(2)11-12-13;2*1-2/h3-6H,1-2H3;2*1-2H3.
What are the key properties of ethane;2-methyl-5-(4-methyltriazol-1-yl)pyridine?
ethane;2-methyl-5-(4-methyltriazol-1-yl)pyridine has a molecular weight of 234.35 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-5-(4-methyltriazol-1-yl)pyridine is sourced from PubChem (CID 157044082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).