5-butyl-1,2,4-triazol-3-imine

C6H10N4 — CID 57234444

IUPAC5-butyl-1,2,4-triazol-3-imine
SMILES[H]/N=C1\N=NC(CCCC)=N1
InChIInChI=1S/C6H10N4/c1-2-3-4-5-8-6(7)10-9-5/h7H,2-4H2,1H3/b7-6-
InChIKeyAXECYEXPCDFKNI-SREVYHEPSA-N
MW138.17 g/mol
LogP1.98
Rot. Bonds3

About 5-butyl-1,2,4-triazol-3-imine

5-butyl-1,2,4-triazol-3-imine (PubChem CID 57234444) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is 5-butyl-1,2,4-triazol-3-imine.

Molecular Properties

Compound Name5-butyl-1,2,4-triazol-3-imine
PubChem CID57234444
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC Name5-butyl-1,2,4-triazol-3-imine
SMILES[H]/N=C1\N=NC(CCCC)=N1
InChIInChI=1S/C6H10N4/c1-2-3-4-5-8-6(7)10-9-5/h7H,2-4H2,1H3/b7-6-
InChIKeyAXECYEXPCDFKNI-SREVYHEPSA-N
XLogP1.98
TPSA60.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(5-Pentyl-1,2,4-triazol-3-ylidene)azanium
CID 56985751
(5-Hexyl-1,2,4-triazol-3-ylidene)azanium
CID 57091697
(5-Undecyl-1,2,4-triazol-3-ylidene)azanium
CID 57133796
(5-Ethyl-1,2,4-triazol-3-ylidene)azanium
CID 57205184
(5-Nonyl-1,2,4-triazol-3-ylidene)azanium
CID 57213276
(5-Butyl-1,2,4-triazol-3-ylidene)azanium
CID 57234443
(5-Propyl-1,2,4-triazol-3-ylidene)azanium
CID 57267840
(5-Octyl-1,2,4-triazol-3-ylidene)azanium
CID 57302274
(5-Decyl-1,2,4-triazol-3-ylidene)azanium
CID 57316757
(5-Heptyl-1,2,4-triazol-3-ylidene)azanium
CID 57317584
N-(1-aminoethylidene)pentanimidamide
CID 58980440
N-hydrazinylidenepentanimidamide
CID 89138104

Frequently Asked Questions

What is the IUPAC name of 5-butyl-1,2,4-triazol-3-imine?
The IUPAC name of 5-butyl-1,2,4-triazol-3-imine (CID 57234444) is 5-butyl-1,2,4-triazol-3-imine.
What is the SMILES notation for 5-butyl-1,2,4-triazol-3-imine?
The canonical SMILES for 5-butyl-1,2,4-triazol-3-imine is [H]/N=C1\N=NC(CCCC)=N1.
What is the InChIKey of 5-butyl-1,2,4-triazol-3-imine?
The InChIKey is AXECYEXPCDFKNI-SREVYHEPSA-N. The full InChI is InChI=1S/C6H10N4/c1-2-3-4-5-8-6(7)10-9-5/h7H,2-4H2,1H3/b7-6-.
What are the key properties of 5-butyl-1,2,4-triazol-3-imine?
5-butyl-1,2,4-triazol-3-imine has a molecular weight of 138.17 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-1,2,4-triazol-3-imine is sourced from PubChem (CID 57234444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).