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

C7H12N4 — CID 56985752

IUPAC5-pentyl-1,2,4-triazol-3-imine
SMILES[H]/N=C1\N=NC(CCCCC)=N1
InChIInChI=1S/C7H12N4/c1-2-3-4-5-6-9-7(8)11-10-6/h8H,2-5H2,1H3/b8-7-
InChIKeyBYUUUVXAKDEJPA-FPLPWBNLSA-N
MW152.20 g/mol
LogP2.37
Rot. Bonds4

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

5-pentyl-1,2,4-triazol-3-imine (PubChem CID 56985752) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is 5-pentyl-1,2,4-triazol-3-imine.

Molecular Properties

Compound Name5-pentyl-1,2,4-triazol-3-imine
PubChem CID56985752
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name5-pentyl-1,2,4-triazol-3-imine
SMILES[H]/N=C1\N=NC(CCCCC)=N1
InChIInChI=1S/C7H12N4/c1-2-3-4-5-6-9-7(8)11-10-6/h8H,2-5H2,1H3/b8-7-
InChIKeyBYUUUVXAKDEJPA-FPLPWBNLSA-N
XLogP2.37
TPSA60.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 56985751
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CID 57073340
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CID 57091697
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CID 57121338
CID 57121338
CID 57133796
CID 57133796
CID 57152919
CID 57152919
CID 57199929
CID 57199929
CID 57205184
CID 57205184
CID 57213276
CID 57213276
CID 57220362
CID 57220362
CID 57234443
CID 57234443
CID 57267840
CID 57267840

Frequently Asked Questions

What is the IUPAC name of 5-pentyl-1,2,4-triazol-3-imine?
The IUPAC name of 5-pentyl-1,2,4-triazol-3-imine (CID 56985752) is 5-pentyl-1,2,4-triazol-3-imine.
What is the SMILES notation for 5-pentyl-1,2,4-triazol-3-imine?
The canonical SMILES for 5-pentyl-1,2,4-triazol-3-imine is [H]/N=C1\N=NC(CCCCC)=N1.
What is the InChIKey of 5-pentyl-1,2,4-triazol-3-imine?
The InChIKey is BYUUUVXAKDEJPA-FPLPWBNLSA-N. The full InChI is InChI=1S/C7H12N4/c1-2-3-4-5-6-9-7(8)11-10-6/h8H,2-5H2,1H3/b8-7-.
What are the key properties of 5-pentyl-1,2,4-triazol-3-imine?
5-pentyl-1,2,4-triazol-3-imine has a molecular weight of 152.20 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentyl-1,2,4-triazol-3-imine is sourced from PubChem (CID 56985752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).