5-(2-ethyltriazol-4-yl)-1-methyl-3,6-dihydro-2H-pyridine

C10H16N4 — CID 10012808

IUPAC5-(2-ethyltriazol-4-yl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCCn1ncc(C2=CCCN(C)C2)n1
InChIInChI=1S/C10H16N4/c1-3-14-11-7-10(12-14)9-5-4-6-13(2)8-9/h5,7H,3-4,6,8H2,1-2H3
InChIKeyIGYBMFIPDQRKSL-UHFFFAOYSA-N
MW192.27 g/mol
LogP1.02
Rot. Bonds2

About 5-(2-ethyltriazol-4-yl)-1-methyl-3,6-dihydro-2H-pyridine

5-(2-ethyltriazol-4-yl)-1-methyl-3,6-dihydro-2H-pyridine (PubChem CID 10012808) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 5-(2-ethyltriazol-4-yl)-1-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-(2-ethyltriazol-4-yl)-1-methyl-3,6-dihydro-2H-pyridine
PubChem CID10012808
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name5-(2-ethyltriazol-4-yl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCCn1ncc(C2=CCCN(C)C2)n1
InChIInChI=1S/C10H16N4/c1-3-14-11-7-10(12-14)9-5-4-6-13(2)8-9/h5,7H,3-4,6,8H2,1-2H3
InChIKeyIGYBMFIPDQRKSL-UHFFFAOYSA-N
XLogP1.02
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethyltriazol-4-yl)-1-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-(2-ethyltriazol-4-yl)-1-methyl-3,6-dihydro-2H-pyridine (CID 10012808) is 5-(2-ethyltriazol-4-yl)-1-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-(2-ethyltriazol-4-yl)-1-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-(2-ethyltriazol-4-yl)-1-methyl-3,6-dihydro-2H-pyridine is CCn1ncc(C2=CCCN(C)C2)n1.
What is the InChIKey of 5-(2-ethyltriazol-4-yl)-1-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is IGYBMFIPDQRKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-3-14-11-7-10(12-14)9-5-4-6-13(2)8-9/h5,7H,3-4,6,8H2,1-2H3.
What are the key properties of 5-(2-ethyltriazol-4-yl)-1-methyl-3,6-dihydro-2H-pyridine?
5-(2-ethyltriazol-4-yl)-1-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 192.27 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethyltriazol-4-yl)-1-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 10012808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).