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

C8H12N4 — CID 173107870

IUPAC1-methyl-4-(1,2,4-triazol-1-yl)-3,6-dihydro-2H-pyridine
SMILESCN1CC=C(n2cncn2)CC1
InChIInChI=1S/C8H12N4/c1-11-4-2-8(3-5-11)12-7-9-6-10-12/h2,6-7H,3-5H2,1H3
InChIKeyGOQKSVOHYWURPV-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.45
Rot. Bonds1

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

1-methyl-4-(1,2,4-triazol-1-yl)-3,6-dihydro-2H-pyridine (PubChem CID 173107870) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 1-methyl-4-(1,2,4-triazol-1-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-methyl-4-(1,2,4-triazol-1-yl)-3,6-dihydro-2H-pyridine
PubChem CID173107870
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name1-methyl-4-(1,2,4-triazol-1-yl)-3,6-dihydro-2H-pyridine
SMILESCN1CC=C(n2cncn2)CC1
InChIInChI=1S/C8H12N4/c1-11-4-2-8(3-5-11)12-7-9-6-10-12/h2,6-7H,3-5H2,1H3
InChIKeyGOQKSVOHYWURPV-UHFFFAOYSA-N
XLogP0.45
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1,2,4-triazol-1-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-methyl-4-(1,2,4-triazol-1-yl)-3,6-dihydro-2H-pyridine (CID 173107870) is 1-methyl-4-(1,2,4-triazol-1-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-methyl-4-(1,2,4-triazol-1-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-methyl-4-(1,2,4-triazol-1-yl)-3,6-dihydro-2H-pyridine is CN1CC=C(n2cncn2)CC1.
What is the InChIKey of 1-methyl-4-(1,2,4-triazol-1-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is GOQKSVOHYWURPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c1-11-4-2-8(3-5-11)12-7-9-6-10-12/h2,6-7H,3-5H2,1H3.
What are the key properties of 1-methyl-4-(1,2,4-triazol-1-yl)-3,6-dihydro-2H-pyridine?
1-methyl-4-(1,2,4-triazol-1-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 164.21 g/mol, XLogP of 0.45, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1,2,4-triazol-1-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 173107870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).