[5-(2-ethylcyclopropyl)-4-methyl-1,2,4-triazol-3-yl]methanamine

C9H16N4 — CID 130826659

IUPAC[5-(2-ethylcyclopropyl)-4-methyl-1,2,4-triazol-3-yl]methanamine
SMILESCCC1CC1c1nnc(CN)n1C
InChIInChI=1S/C9H16N4/c1-3-6-4-7(6)9-12-11-8(5-10)13(9)2/h6-7H,3-5,10H2,1-2H3
InChIKeyHOMHRVBNWVIQCV-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.79
Rot. Bonds3

About [5-(2-ethylcyclopropyl)-4-methyl-1,2,4-triazol-3-yl]methanamine

[5-(2-ethylcyclopropyl)-4-methyl-1,2,4-triazol-3-yl]methanamine (PubChem CID 130826659) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is [5-(2-ethylcyclopropyl)-4-methyl-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(2-ethylcyclopropyl)-4-methyl-1,2,4-triazol-3-yl]methanamine
PubChem CID130826659
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name[5-(2-ethylcyclopropyl)-4-methyl-1,2,4-triazol-3-yl]methanamine
SMILESCCC1CC1c1nnc(CN)n1C
InChIInChI=1S/C9H16N4/c1-3-6-4-7(6)9-12-11-8(5-10)13(9)2/h6-7H,3-5,10H2,1-2H3
InChIKeyHOMHRVBNWVIQCV-UHFFFAOYSA-N
XLogP0.79
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-(2-ethylcyclopropyl)-4-methyl-1,2,4-triazol-3-yl]methanamine with MolForge

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Related Compounds

[4-methyl-5-(2-methylcyclopentyl)-1,2,4-triazol-3-yl]methanamine
CID 107186492
[5-(2,2-dimethylcyclopentyl)-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 107186493
[4-ethyl-5-(2-methylcyclopropyl)-1,2,4-triazol-3-yl]methanamine
CID 112593552
[5-(2-bicyclo[2.2.1]heptanyl)-4-propyl-1,2,4-triazol-3-yl]methanamine
CID 112593751
3-(2-bicyclo[2.2.1]heptanyl)-5-(bromomethyl)-4-methyl-1,2,4-triazole
CID 115399854
(5-cyclohexylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine
CID 63315628
(5-hexyl-4-methyl-1,2,4-triazol-3-yl)methanamine
CID 114754387
(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride
CID 75480383
[4-methyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-yl]methanol
CID 115397058
[5-(6-bicyclo[3.1.0]hexanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine
CID 112593535
[5-(1-adamantylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 63315646
3-[5-(aminomethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91790687

Frequently Asked Questions

What is the IUPAC name of [5-(2-ethylcyclopropyl)-4-methyl-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [5-(2-ethylcyclopropyl)-4-methyl-1,2,4-triazol-3-yl]methanamine (CID 130826659) is [5-(2-ethylcyclopropyl)-4-methyl-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [5-(2-ethylcyclopropyl)-4-methyl-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [5-(2-ethylcyclopropyl)-4-methyl-1,2,4-triazol-3-yl]methanamine is CCC1CC1c1nnc(CN)n1C.
What is the InChIKey of [5-(2-ethylcyclopropyl)-4-methyl-1,2,4-triazol-3-yl]methanamine?
The InChIKey is HOMHRVBNWVIQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-3-6-4-7(6)9-12-11-8(5-10)13(9)2/h6-7H,3-5,10H2,1-2H3.
What are the key properties of [5-(2-ethylcyclopropyl)-4-methyl-1,2,4-triazol-3-yl]methanamine?
[5-(2-ethylcyclopropyl)-4-methyl-1,2,4-triazol-3-yl]methanamine has a molecular weight of 180.25 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-ethylcyclopropyl)-4-methyl-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 130826659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).