4-(1H-1,2,4-triazol-5-yl)-1,2,3,6-tetrahydropyridine

C7H10N4 — CID 173108270

IUPAC4-(1H-1,2,4-triazol-5-yl)-1,2,3,6-tetrahydropyridine
SMILESC1=C(c2ncn[nH]2)CCNC1
InChIInChI=1S/C7H10N4/c1-3-8-4-2-6(1)7-9-5-10-11-7/h1,5,8H,2-4H2,(H,9,10,11)
InChIKeyANHDLVJOOYWXLD-UHFFFAOYSA-N
MW150.19 g/mol
LogP0.18
Rot. Bonds1

About 4-(1H-1,2,4-triazol-5-yl)-1,2,3,6-tetrahydropyridine

4-(1H-1,2,4-triazol-5-yl)-1,2,3,6-tetrahydropyridine (PubChem CID 173108270) has the molecular formula C7H10N4 and a molecular weight of 150.19 g/mol. Its IUPAC name is 4-(1H-1,2,4-triazol-5-yl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-(1H-1,2,4-triazol-5-yl)-1,2,3,6-tetrahydropyridine
PubChem CID173108270
Molecular FormulaC7H10N4
Molecular Weight150.19 g/mol
Exact Mass150.09
IUPAC Name4-(1H-1,2,4-triazol-5-yl)-1,2,3,6-tetrahydropyridine
SMILESC1=C(c2ncn[nH]2)CCNC1
InChIInChI=1S/C7H10N4/c1-3-8-4-2-6(1)7-9-5-10-11-7/h1,5,8H,2-4H2,(H,9,10,11)
InChIKeyANHDLVJOOYWXLD-UHFFFAOYSA-N
XLogP0.18
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.19
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(1H-1,2,4-triazol-5-yl)-1,2,3,6-tetrahydropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1H-1,2,4-triazol-5-yl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-(1H-1,2,4-triazol-5-yl)-1,2,3,6-tetrahydropyridine (CID 173108270) is 4-(1H-1,2,4-triazol-5-yl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-(1H-1,2,4-triazol-5-yl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-(1H-1,2,4-triazol-5-yl)-1,2,3,6-tetrahydropyridine is C1=C(c2ncn[nH]2)CCNC1.
What is the InChIKey of 4-(1H-1,2,4-triazol-5-yl)-1,2,3,6-tetrahydropyridine?
The InChIKey is ANHDLVJOOYWXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4/c1-3-8-4-2-6(1)7-9-5-10-11-7/h1,5,8H,2-4H2,(H,9,10,11).
What are the key properties of 4-(1H-1,2,4-triazol-5-yl)-1,2,3,6-tetrahydropyridine?
4-(1H-1,2,4-triazol-5-yl)-1,2,3,6-tetrahydropyridine has a molecular weight of 150.19 g/mol, XLogP of 0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-1,2,4-triazol-5-yl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 173108270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).