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

C8H12N4 — CID 166085142

IUPAC1-methyl-4-(1H-1,2,4-triazol-5-yl)-3,6-dihydro-2H-pyridine
SMILESCN1CC=C(c2ncn[nH]2)CC1
InChIInChI=1S/C8H12N4/c1-12-4-2-7(3-5-12)8-9-6-10-11-8/h2,6H,3-5H2,1H3,(H,9,10,11)
InChIKeyATSIEEYUHXZQFL-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.52
Rot. Bonds1

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

1-methyl-4-(1H-1,2,4-triazol-5-yl)-3,6-dihydro-2H-pyridine (PubChem CID 166085142) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 1-methyl-4-(1H-1,2,4-triazol-5-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-methyl-4-(1H-1,2,4-triazol-5-yl)-3,6-dihydro-2H-pyridine
PubChem CID166085142
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name1-methyl-4-(1H-1,2,4-triazol-5-yl)-3,6-dihydro-2H-pyridine
SMILESCN1CC=C(c2ncn[nH]2)CC1
InChIInChI=1S/C8H12N4/c1-12-4-2-7(3-5-12)8-9-6-10-11-8/h2,6H,3-5H2,1H3,(H,9,10,11)
InChIKeyATSIEEYUHXZQFL-UHFFFAOYSA-N
XLogP0.52
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1H-1,2,4-triazol-5-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-methyl-4-(1H-1,2,4-triazol-5-yl)-3,6-dihydro-2H-pyridine (CID 166085142) is 1-methyl-4-(1H-1,2,4-triazol-5-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-methyl-4-(1H-1,2,4-triazol-5-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-methyl-4-(1H-1,2,4-triazol-5-yl)-3,6-dihydro-2H-pyridine is CN1CC=C(c2ncn[nH]2)CC1.
What is the InChIKey of 1-methyl-4-(1H-1,2,4-triazol-5-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is ATSIEEYUHXZQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c1-12-4-2-7(3-5-12)8-9-6-10-11-8/h2,6H,3-5H2,1H3,(H,9,10,11).
What are the key properties of 1-methyl-4-(1H-1,2,4-triazol-5-yl)-3,6-dihydro-2H-pyridine?
1-methyl-4-(1H-1,2,4-triazol-5-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 164.21 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1H-1,2,4-triazol-5-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 166085142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).