[4-(2-methylpropyl)-5-pentyl-1,2,4-triazol-3-yl]methanamine

C12H24N4 — CID 112594055

IUPAC[4-(2-methylpropyl)-5-pentyl-1,2,4-triazol-3-yl]methanamine
SMILESCCCCCc1nnc(CN)n1CC(C)C
InChIInChI=1S/C12H24N4/c1-4-5-6-7-11-14-15-12(8-13)16(11)9-10(2)3/h10H,4-9,13H2,1-3H3
InChIKeyZIXMXFOVTDFUGK-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.13
Rot. Bonds7

About [4-(2-methylpropyl)-5-pentyl-1,2,4-triazol-3-yl]methanamine

[4-(2-methylpropyl)-5-pentyl-1,2,4-triazol-3-yl]methanamine (PubChem CID 112594055) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is [4-(2-methylpropyl)-5-pentyl-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[4-(2-methylpropyl)-5-pentyl-1,2,4-triazol-3-yl]methanamine
PubChem CID112594055
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name[4-(2-methylpropyl)-5-pentyl-1,2,4-triazol-3-yl]methanamine
SMILESCCCCCc1nnc(CN)n1CC(C)C
InChIInChI=1S/C12H24N4/c1-4-5-6-7-11-14-15-12(8-13)16(11)9-10(2)3/h10H,4-9,13H2,1-3H3
InChIKeyZIXMXFOVTDFUGK-UHFFFAOYSA-N
XLogP2.13
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[5-(3-ethoxypropyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine
CID 112594107
(5-butyl-4-ethyl-1,2,4-triazol-3-yl)methanamine
CID 112593519
(3,5-dipentyl-1,2,4-triazol-4-yl)methanamine
CID 126601317
(5-heptyl-4-propan-2-yl-1,2,4-triazol-3-yl)methanamine
CID 112592993
(5-octyl-4-propan-2-yl-1,2,4-triazol-3-yl)methanamine
CID 112593090
(3,5-didecyl-1,2,4-triazol-4-yl)methanamine
CID 126601324
[4-(2-methoxyethyl)-5-pentyl-1,2,4-triazol-3-yl]methanamine
CID 112592767
[5-methoxy-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine
CID 83876417
(5-hexyl-4-methyl-1,2,4-triazol-3-yl)methanamine
CID 114754387
2-[[4-(2-methylpropyl)-5-pentyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 113300891
[5-[(2-methylpropan-2-yl)oxymethyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine
CID 112606036
[5-(2-methylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanamine
CID 112593728

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpropyl)-5-pentyl-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [4-(2-methylpropyl)-5-pentyl-1,2,4-triazol-3-yl]methanamine (CID 112594055) is [4-(2-methylpropyl)-5-pentyl-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [4-(2-methylpropyl)-5-pentyl-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [4-(2-methylpropyl)-5-pentyl-1,2,4-triazol-3-yl]methanamine is CCCCCc1nnc(CN)n1CC(C)C.
What is the InChIKey of [4-(2-methylpropyl)-5-pentyl-1,2,4-triazol-3-yl]methanamine?
The InChIKey is ZIXMXFOVTDFUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-4-5-6-7-11-14-15-12(8-13)16(11)9-10(2)3/h10H,4-9,13H2,1-3H3.
What are the key properties of [4-(2-methylpropyl)-5-pentyl-1,2,4-triazol-3-yl]methanamine?
[4-(2-methylpropyl)-5-pentyl-1,2,4-triazol-3-yl]methanamine has a molecular weight of 224.35 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropyl)-5-pentyl-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 112594055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).