butan-1-amine;1H-1,2,4-triazole

C6H14N4 — CID 22361871

IUPACbutan-1-amine;1H-1,2,4-triazole
SMILESCCCCN.c1nc[nH]n1
InChIInChI=1S/C4H11N.C2H3N3/c1-2-3-4-5;1-3-2-5-4-1/h2-5H2,1H3;1-2H,(H,3,4,5)
InChIKeyHWFXUWJTXXPEBY-UHFFFAOYSA-N
MW142.21 g/mol
LogP0.55
Rot. Bonds2

About butan-1-amine;1H-1,2,4-triazole

butan-1-amine;1H-1,2,4-triazole (PubChem CID 22361871) has the molecular formula C6H14N4 and a molecular weight of 142.21 g/mol. Its IUPAC name is butan-1-amine;1H-1,2,4-triazole.

Molecular Properties

Compound Namebutan-1-amine;1H-1,2,4-triazole
PubChem CID22361871
Molecular FormulaC6H14N4
Molecular Weight142.21 g/mol
Exact Mass142.12
IUPAC Namebutan-1-amine;1H-1,2,4-triazole
SMILESCCCCN.c1nc[nH]n1
InChIInChI=1S/C4H11N.C2H3N3/c1-2-3-4-5;1-3-2-5-4-1/h2-5H2,1H3;1-2H,(H,3,4,5)
InChIKeyHWFXUWJTXXPEBY-UHFFFAOYSA-N
XLogP0.55
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.21
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze butan-1-amine;1H-1,2,4-triazole 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 butan-1-amine;1H-1,2,4-triazole?
The IUPAC name of butan-1-amine;1H-1,2,4-triazole (CID 22361871) is butan-1-amine;1H-1,2,4-triazole.
What is the SMILES notation for butan-1-amine;1H-1,2,4-triazole?
The canonical SMILES for butan-1-amine;1H-1,2,4-triazole is CCCCN.c1nc[nH]n1.
What is the InChIKey of butan-1-amine;1H-1,2,4-triazole?
The InChIKey is HWFXUWJTXXPEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.C2H3N3/c1-2-3-4-5;1-3-2-5-4-1/h2-5H2,1H3;1-2H,(H,3,4,5).
What are the key properties of butan-1-amine;1H-1,2,4-triazole?
butan-1-amine;1H-1,2,4-triazole has a molecular weight of 142.21 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-amine;1H-1,2,4-triazole is sourced from PubChem (CID 22361871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).