[5-ethyl-4-(4-methylpentyl)-1,2,4-triazol-3-yl]methanamine

C11H22N4 — CID 118905727

IUPAC[5-ethyl-4-(4-methylpentyl)-1,2,4-triazol-3-yl]methanamine
SMILESCCc1nnc(CN)n1CCCC(C)C
InChIInChI=1S/C11H22N4/c1-4-10-13-14-11(8-12)15(10)7-5-6-9(2)3/h9H,4-8,12H2,1-3H3
InChIKeyAPOVPGDPKMRTFU-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.74
Rot. Bonds6

About [5-ethyl-4-(4-methylpentyl)-1,2,4-triazol-3-yl]methanamine

[5-ethyl-4-(4-methylpentyl)-1,2,4-triazol-3-yl]methanamine (PubChem CID 118905727) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is [5-ethyl-4-(4-methylpentyl)-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-ethyl-4-(4-methylpentyl)-1,2,4-triazol-3-yl]methanamine
PubChem CID118905727
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name[5-ethyl-4-(4-methylpentyl)-1,2,4-triazol-3-yl]methanamine
SMILESCCc1nnc(CN)n1CCCC(C)C
InChIInChI=1S/C11H22N4/c1-4-10-13-14-11(8-12)15(10)7-5-6-9(2)3/h9H,4-8,12H2,1-3H3
InChIKeyAPOVPGDPKMRTFU-UHFFFAOYSA-N
XLogP1.74
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-ethyl-4-(4-methylpentyl)-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [5-ethyl-4-(4-methylpentyl)-1,2,4-triazol-3-yl]methanamine (CID 118905727) is [5-ethyl-4-(4-methylpentyl)-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [5-ethyl-4-(4-methylpentyl)-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [5-ethyl-4-(4-methylpentyl)-1,2,4-triazol-3-yl]methanamine is CCc1nnc(CN)n1CCCC(C)C.
What is the InChIKey of [5-ethyl-4-(4-methylpentyl)-1,2,4-triazol-3-yl]methanamine?
The InChIKey is APOVPGDPKMRTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-4-10-13-14-11(8-12)15(10)7-5-6-9(2)3/h9H,4-8,12H2,1-3H3.
What are the key properties of [5-ethyl-4-(4-methylpentyl)-1,2,4-triazol-3-yl]methanamine?
[5-ethyl-4-(4-methylpentyl)-1,2,4-triazol-3-yl]methanamine has a molecular weight of 210.32 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethyl-4-(4-methylpentyl)-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 118905727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).