4-butyl-N,N-dimethyl-1,2,4-triazol-3-amine

C8H16N4 — CID 141027087

IUPAC4-butyl-N,N-dimethyl-1,2,4-triazol-3-amine
SMILESCCCCn1cnnc1N(C)C
InChIInChI=1S/C8H16N4/c1-4-5-6-12-7-9-10-8(12)11(2)3/h7H,4-6H2,1-3H3
InChIKeyMIKIEMZRLQAKPQ-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.14
Rot. Bonds4

About 4-butyl-N,N-dimethyl-1,2,4-triazol-3-amine

4-butyl-N,N-dimethyl-1,2,4-triazol-3-amine (PubChem CID 141027087) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-butyl-N,N-dimethyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name4-butyl-N,N-dimethyl-1,2,4-triazol-3-amine
PubChem CID141027087
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name4-butyl-N,N-dimethyl-1,2,4-triazol-3-amine
SMILESCCCCn1cnnc1N(C)C
InChIInChI=1S/C8H16N4/c1-4-5-6-12-7-9-10-8(12)11(2)3/h7H,4-6H2,1-3H3
InChIKeyMIKIEMZRLQAKPQ-UHFFFAOYSA-N
XLogP1.14
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-N,N-dimethyl-1,2,4-triazol-3-amine?
The IUPAC name of 4-butyl-N,N-dimethyl-1,2,4-triazol-3-amine (CID 141027087) is 4-butyl-N,N-dimethyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 4-butyl-N,N-dimethyl-1,2,4-triazol-3-amine?
The canonical SMILES for 4-butyl-N,N-dimethyl-1,2,4-triazol-3-amine is CCCCn1cnnc1N(C)C.
What is the InChIKey of 4-butyl-N,N-dimethyl-1,2,4-triazol-3-amine?
The InChIKey is MIKIEMZRLQAKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-4-5-6-12-7-9-10-8(12)11(2)3/h7H,4-6H2,1-3H3.
What are the key properties of 4-butyl-N,N-dimethyl-1,2,4-triazol-3-amine?
4-butyl-N,N-dimethyl-1,2,4-triazol-3-amine has a molecular weight of 168.24 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N,N-dimethyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 141027087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).