ethane;2-methyl-5-(1-methyl-1,2,4-triazol-3-yl)pyridine

C11H16N4 — CID 143851802

IUPACethane;2-methyl-5-(1-methyl-1,2,4-triazol-3-yl)pyridine
SMILESCC.Cc1ccc(-c2ncn(C)n2)cn1
InChIInChI=1S/C9H10N4.C2H6/c1-7-3-4-8(5-10-7)9-11-6-13(2)12-9;1-2/h3-6H,1-2H3;1-2H3
InChIKeyWOEXKSITEOTFAP-UHFFFAOYSA-N
MW204.28 g/mol
LogP2.21
Rot. Bonds1

About ethane;2-methyl-5-(1-methyl-1,2,4-triazol-3-yl)pyridine

ethane;2-methyl-5-(1-methyl-1,2,4-triazol-3-yl)pyridine (PubChem CID 143851802) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is ethane;2-methyl-5-(1-methyl-1,2,4-triazol-3-yl)pyridine.

Molecular Properties

Compound Nameethane;2-methyl-5-(1-methyl-1,2,4-triazol-3-yl)pyridine
PubChem CID143851802
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Nameethane;2-methyl-5-(1-methyl-1,2,4-triazol-3-yl)pyridine
SMILESCC.Cc1ccc(-c2ncn(C)n2)cn1
InChIInChI=1S/C9H10N4.C2H6/c1-7-3-4-8(5-10-7)9-11-6-13(2)12-9;1-2/h3-6H,1-2H3;1-2H3
InChIKeyWOEXKSITEOTFAP-UHFFFAOYSA-N
XLogP2.21
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-5-(1-methyl-1,2,4-triazol-3-yl)pyridine?
The IUPAC name of ethane;2-methyl-5-(1-methyl-1,2,4-triazol-3-yl)pyridine (CID 143851802) is ethane;2-methyl-5-(1-methyl-1,2,4-triazol-3-yl)pyridine.
What is the SMILES notation for ethane;2-methyl-5-(1-methyl-1,2,4-triazol-3-yl)pyridine?
The canonical SMILES for ethane;2-methyl-5-(1-methyl-1,2,4-triazol-3-yl)pyridine is CC.Cc1ccc(-c2ncn(C)n2)cn1.
What is the InChIKey of ethane;2-methyl-5-(1-methyl-1,2,4-triazol-3-yl)pyridine?
The InChIKey is WOEXKSITEOTFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4.C2H6/c1-7-3-4-8(5-10-7)9-11-6-13(2)12-9;1-2/h3-6H,1-2H3;1-2H3.
What are the key properties of ethane;2-methyl-5-(1-methyl-1,2,4-triazol-3-yl)pyridine?
ethane;2-methyl-5-(1-methyl-1,2,4-triazol-3-yl)pyridine has a molecular weight of 204.28 g/mol, XLogP of 2.21, 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-(1-methyl-1,2,4-triazol-3-yl)pyridine is sourced from PubChem (CID 143851802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).