N-butyl-1,2,4-triazin-3-amine

C7H12N4 — CID 23195164

IUPACN-butyl-1,2,4-triazin-3-amine
SMILESCCCCNc1nccnn1
InChIInChI=1S/C7H12N4/c1-2-3-4-8-7-9-5-6-10-11-7/h5-6H,2-4H2,1H3,(H,8,9,11)
InChIKeyNZFDHWPHIJVNFU-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.08
Rot. Bonds4

About N-butyl-1,2,4-triazin-3-amine

N-butyl-1,2,4-triazin-3-amine (PubChem CID 23195164) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is N-butyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-butyl-1,2,4-triazin-3-amine
PubChem CID23195164
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC NameN-butyl-1,2,4-triazin-3-amine
SMILESCCCCNc1nccnn1
InChIInChI=1S/C7H12N4/c1-2-3-4-8-7-9-5-6-10-11-7/h5-6H,2-4H2,1H3,(H,8,9,11)
InChIKeyNZFDHWPHIJVNFU-UHFFFAOYSA-N
XLogP1.08
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-1,2,4-triazin-3-amine?
The IUPAC name of N-butyl-1,2,4-triazin-3-amine (CID 23195164) is N-butyl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-butyl-1,2,4-triazin-3-amine?
The canonical SMILES for N-butyl-1,2,4-triazin-3-amine is CCCCNc1nccnn1.
What is the InChIKey of N-butyl-1,2,4-triazin-3-amine?
The InChIKey is NZFDHWPHIJVNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c1-2-3-4-8-7-9-5-6-10-11-7/h5-6H,2-4H2,1H3,(H,8,9,11).
What are the key properties of N-butyl-1,2,4-triazin-3-amine?
N-butyl-1,2,4-triazin-3-amine has a molecular weight of 152.20 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 23195164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).