ethane;3-(1-methyltriazol-4-yl)pyridine

C10H14N4 — CID 159786313

IUPACethane;3-(1-methyltriazol-4-yl)pyridine
SMILESCC.Cn1cc(-c2cccnc2)nn1
InChIInChI=1S/C8H8N4.C2H6/c1-12-6-8(10-11-12)7-3-2-4-9-5-7;1-2/h2-6H,1H3;1-2H3
InChIKeyNHZKSXUERBJCMT-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.90
Rot. Bonds1

About ethane;3-(1-methyltriazol-4-yl)pyridine

ethane;3-(1-methyltriazol-4-yl)pyridine (PubChem CID 159786313) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is ethane;3-(1-methyltriazol-4-yl)pyridine.

Molecular Properties

Compound Nameethane;3-(1-methyltriazol-4-yl)pyridine
PubChem CID159786313
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Nameethane;3-(1-methyltriazol-4-yl)pyridine
SMILESCC.Cn1cc(-c2cccnc2)nn1
InChIInChI=1S/C8H8N4.C2H6/c1-12-6-8(10-11-12)7-3-2-4-9-5-7;1-2/h2-6H,1H3;1-2H3
InChIKeyNHZKSXUERBJCMT-UHFFFAOYSA-N
XLogP1.90
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-phenyltriazole
CID 11309663
3-[1-(methylsulfanylmethyl)triazol-4-yl]pyridine
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5-(1-methyltriazol-4-yl)pyridin-3-amine
CID 130602643
4-(4-pyridin-3-yltriazol-1-yl)phenol
CID 50908754
4,4,6,6-tetramethyl-8-(4-pyridin-3-yltriazol-1-yl)octan-1-ol
CID 123339748
3-(1-methyltriazol-4-yl)aniline
CID 89194018
3-(1-methylpyrazol-4-yl)pyridine;dihydrochloride
CID 119106449
N,3-dimethyl-2-(1-methyltriazol-4-yl)-N-pyridin-3-ylimidazole-4-carboxamide
CID 130332406
3-phenyl-6-pyridin-3-ylpyridazine
CID 12712239
3-methyl-6-pyridin-3-ylpyridazine
CID 89161646
4-methoxy-3-(4-pyridin-3-yltriazol-1-yl)aniline
CID 82369844
3,4-dimethyl-5-(4-pyridin-3-yltriazol-1-yl)benzoic acid
CID 21097296

Frequently Asked Questions

What is the IUPAC name of ethane;3-(1-methyltriazol-4-yl)pyridine?
The IUPAC name of ethane;3-(1-methyltriazol-4-yl)pyridine (CID 159786313) is ethane;3-(1-methyltriazol-4-yl)pyridine.
What is the SMILES notation for ethane;3-(1-methyltriazol-4-yl)pyridine?
The canonical SMILES for ethane;3-(1-methyltriazol-4-yl)pyridine is CC.Cn1cc(-c2cccnc2)nn1.
What is the InChIKey of ethane;3-(1-methyltriazol-4-yl)pyridine?
The InChIKey is NHZKSXUERBJCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4.C2H6/c1-12-6-8(10-11-12)7-3-2-4-9-5-7;1-2/h2-6H,1H3;1-2H3.
What are the key properties of ethane;3-(1-methyltriazol-4-yl)pyridine?
ethane;3-(1-methyltriazol-4-yl)pyridine has a molecular weight of 190.25 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(1-methyltriazol-4-yl)pyridine is sourced from PubChem (CID 159786313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).