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

C10H18N4 — CID 112594183

IUPAC[5-cyclopropyl-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine
SMILESCC(C)Cn1c(CN)nnc1C1CC1
InChIInChI=1S/C10H18N4/c1-7(2)6-14-9(5-11)12-13-10(14)8-3-4-8/h7-8H,3-6,11H2,1-2H3
InChIKeyZSFYIXDQMHWYPU-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.27
Rot. Bonds4

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

[5-cyclopropyl-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine (PubChem CID 112594183) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is [5-cyclopropyl-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-cyclopropyl-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine
PubChem CID112594183
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name[5-cyclopropyl-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine
SMILESCC(C)Cn1c(CN)nnc1C1CC1
InChIInChI=1S/C10H18N4/c1-7(2)6-14-9(5-11)12-13-10(14)8-3-4-8/h7-8H,3-6,11H2,1-2H3
InChIKeyZSFYIXDQMHWYPU-UHFFFAOYSA-N
XLogP1.27
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(4-tert-butylcyclohexyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine
CID 115944223
3-(chloromethyl)-5-cycloheptyl-4-(2-methylpropyl)-1,2,4-triazole
CID 115398555
[5-(4-tert-butylcyclohexyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol
CID 115397251
3-(chloromethyl)-4-(2-methylpropyl)-5-(oxan-4-yl)-1,2,4-triazole
CID 115398570
3-(3-bicyclo[3.1.0]hexanyl)-5-(chloromethyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 115398672
[5-methoxy-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine
CID 83876417
[5-(1-adamantyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine
CID 115944210
[4-(2-methylpropyl)-5-pentyl-1,2,4-triazol-3-yl]methanamine
CID 112594055
[5-(3-ethoxypropyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine
CID 112594107
[5-[(2-methylpropan-2-yl)oxymethyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine
CID 112606036
4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(2-methylpropyl)piperidine
CID 70720739
2-cyclopropyl-5-ethyl-3-(2-methylpropyl)imidazol-4-amine
CID 62218612

Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [5-cyclopropyl-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine (CID 112594183) is [5-cyclopropyl-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [5-cyclopropyl-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [5-cyclopropyl-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine is CC(C)Cn1c(CN)nnc1C1CC1.
What is the InChIKey of [5-cyclopropyl-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine?
The InChIKey is ZSFYIXDQMHWYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-7(2)6-14-9(5-11)12-13-10(14)8-3-4-8/h7-8H,3-6,11H2,1-2H3.
What are the key properties of [5-cyclopropyl-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine?
[5-cyclopropyl-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine has a molecular weight of 194.28 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclopropyl-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 112594183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).