5-(5-methyl-1H-1,2,4-triazol-3-yl)-N-pentyl-1H-imidazol-4-amine

C11H18N6 — CID 135984702

IUPAC5-(5-methyl-1H-1,2,4-triazol-3-yl)-N-pentyl-1H-imidazol-4-amine
SMILESCCCCCNc1nc[nH]c1-c1n[nH]c(C)n1
InChIInChI=1S/C11H18N6/c1-3-4-5-6-12-10-9(13-7-14-10)11-15-8(2)16-17-11/h7,12H,3-6H2,1-2H3,(H,13,14)(H,15,16,17)
InChIKeyGXNANVRKZJCWPF-UHFFFAOYSA-N
MW234.31 g/mol
LogP2.11
Rot. Bonds6

About 5-(5-methyl-1H-1,2,4-triazol-3-yl)-N-pentyl-1H-imidazol-4-amine

5-(5-methyl-1H-1,2,4-triazol-3-yl)-N-pentyl-1H-imidazol-4-amine (PubChem CID 135984702) has the molecular formula C11H18N6 and a molecular weight of 234.31 g/mol. Its IUPAC name is 5-(5-methyl-1H-1,2,4-triazol-3-yl)-N-pentyl-1H-imidazol-4-amine.

Molecular Properties

Compound Name5-(5-methyl-1H-1,2,4-triazol-3-yl)-N-pentyl-1H-imidazol-4-amine
PubChem CID135984702
Molecular FormulaC11H18N6
Molecular Weight234.31 g/mol
Exact Mass234.16
IUPAC Name5-(5-methyl-1H-1,2,4-triazol-3-yl)-N-pentyl-1H-imidazol-4-amine
SMILESCCCCCNc1nc[nH]c1-c1n[nH]c(C)n1
InChIInChI=1S/C11H18N6/c1-3-4-5-6-12-10-9(13-7-14-10)11-15-8(2)16-17-11/h7,12H,3-6H2,1-2H3,(H,13,14)(H,15,16,17)
InChIKeyGXNANVRKZJCWPF-UHFFFAOYSA-N
XLogP2.11
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 52.11
H-Bond Donors ≤ 53
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 5-(5-methyl-1H-1,2,4-triazol-3-yl)-N-pentyl-1H-imidazol-4-amine?
The IUPAC name of 5-(5-methyl-1H-1,2,4-triazol-3-yl)-N-pentyl-1H-imidazol-4-amine (CID 135984702) is 5-(5-methyl-1H-1,2,4-triazol-3-yl)-N-pentyl-1H-imidazol-4-amine.
What is the SMILES notation for 5-(5-methyl-1H-1,2,4-triazol-3-yl)-N-pentyl-1H-imidazol-4-amine?
The canonical SMILES for 5-(5-methyl-1H-1,2,4-triazol-3-yl)-N-pentyl-1H-imidazol-4-amine is CCCCCNc1nc[nH]c1-c1n[nH]c(C)n1.
What is the InChIKey of 5-(5-methyl-1H-1,2,4-triazol-3-yl)-N-pentyl-1H-imidazol-4-amine?
The InChIKey is GXNANVRKZJCWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6/c1-3-4-5-6-12-10-9(13-7-14-10)11-15-8(2)16-17-11/h7,12H,3-6H2,1-2H3,(H,13,14)(H,15,16,17).
What are the key properties of 5-(5-methyl-1H-1,2,4-triazol-3-yl)-N-pentyl-1H-imidazol-4-amine?
5-(5-methyl-1H-1,2,4-triazol-3-yl)-N-pentyl-1H-imidazol-4-amine has a molecular weight of 234.31 g/mol, XLogP of 2.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-1H-1,2,4-triazol-3-yl)-N-pentyl-1H-imidazol-4-amine is sourced from PubChem (CID 135984702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).