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

C9H16N4 — CID 112593552

IUPAC[4-ethyl-5-(2-methylcyclopropyl)-1,2,4-triazol-3-yl]methanamine
SMILESCCn1c(CN)nnc1C1CC1C
InChIInChI=1S/C9H16N4/c1-3-13-8(5-10)11-12-9(13)7-4-6(7)2/h6-7H,3-5,10H2,1-2H3
InChIKeyMRCONMWAXKJKFP-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.88
Rot. Bonds3

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

[4-ethyl-5-(2-methylcyclopropyl)-1,2,4-triazol-3-yl]methanamine (PubChem CID 112593552) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is [4-ethyl-5-(2-methylcyclopropyl)-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[4-ethyl-5-(2-methylcyclopropyl)-1,2,4-triazol-3-yl]methanamine
PubChem CID112593552
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name[4-ethyl-5-(2-methylcyclopropyl)-1,2,4-triazol-3-yl]methanamine
SMILESCCn1c(CN)nnc1C1CC1C
InChIInChI=1S/C9H16N4/c1-3-13-8(5-10)11-12-9(13)7-4-6(7)2/h6-7H,3-5,10H2,1-2H3
InChIKeyMRCONMWAXKJKFP-UHFFFAOYSA-N
XLogP0.88
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 ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

[5-(6-bicyclo[3.1.0]hexanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine
CID 112593535
[5-(2-bicyclo[2.2.1]heptanyl)-4-propyl-1,2,4-triazol-3-yl]methanamine
CID 112593751
[5-(2-ethylcyclopropyl)-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 130826659
5-(aminomethyl)-N-cyclopropyl-4-ethyl-1,2,4-triazol-3-amine
CID 83875837
3-(chloromethyl)-4-ethyl-5-(2-methyloxolan-3-yl)-1,2,4-triazole
CID 115398131
[4-methyl-5-(2-methylcyclopentyl)-1,2,4-triazol-3-yl]methanamine
CID 107186492
(5-tert-butyl-4-ethyl-1,2,4-triazol-3-yl)methanamine
CID 112593472
(5-butyl-4-ethyl-1,2,4-triazol-3-yl)methanamine
CID 112593519
[4-ethyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-yl]methanol
CID 113301681
[5-(3-bicyclo[3.1.0]hexanyl)-4-ethyl-1,2,4-triazol-3-yl]methanol
CID 115396745
[5-cyclopropyl-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine
CID 112594183
[4-ethyl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]methanamine
CID 115944151

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-5-(2-methylcyclopropyl)-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [4-ethyl-5-(2-methylcyclopropyl)-1,2,4-triazol-3-yl]methanamine (CID 112593552) is [4-ethyl-5-(2-methylcyclopropyl)-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [4-ethyl-5-(2-methylcyclopropyl)-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [4-ethyl-5-(2-methylcyclopropyl)-1,2,4-triazol-3-yl]methanamine is CCn1c(CN)nnc1C1CC1C.
What is the InChIKey of [4-ethyl-5-(2-methylcyclopropyl)-1,2,4-triazol-3-yl]methanamine?
The InChIKey is MRCONMWAXKJKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-3-13-8(5-10)11-12-9(13)7-4-6(7)2/h6-7H,3-5,10H2,1-2H3.
What are the key properties of [4-ethyl-5-(2-methylcyclopropyl)-1,2,4-triazol-3-yl]methanamine?
[4-ethyl-5-(2-methylcyclopropyl)-1,2,4-triazol-3-yl]methanamine has a molecular weight of 180.25 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-5-(2-methylcyclopropyl)-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 112593552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).