1-N'-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]ethene-1,1-diamine

C8H12N4O — CID 129286690

IUPAC1-N'-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]ethene-1,1-diamine
SMILESC=C(N)NC1(c2nc(C)no2)CC1
InChIInChI=1S/C8H12N4O/c1-5(9)11-8(3-4-8)7-10-6(2)12-13-7/h11H,1,3-4,9H2,2H3
InChIKeyHRMSKKXQIYZZIC-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.39
Rot. Bonds3

About 1-N'-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]ethene-1,1-diamine

1-N'-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]ethene-1,1-diamine (PubChem CID 129286690) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 1-N'-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]ethene-1,1-diamine.

Molecular Properties

Compound Name1-N'-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]ethene-1,1-diamine
PubChem CID129286690
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name1-N'-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]ethene-1,1-diamine
SMILESC=C(N)NC1(c2nc(C)no2)CC1
InChIInChI=1S/C8H12N4O/c1-5(9)11-8(3-4-8)7-10-6(2)12-13-7/h11H,1,3-4,9H2,2H3
InChIKeyHRMSKKXQIYZZIC-UHFFFAOYSA-N
XLogP0.39
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-2-oxooxolane-3-carboxamide
CID 166309149
N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)oxan-4-yl]-1,3-dioxolane-2-carboxamide
CID 155960657
N-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
CID 130666251
1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-ol
CID 130742055
N-ethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)oxan-4-amine
CID 167909104
methyl 1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylate
CID 79733482
1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]ethanone
CID 156545791
5-(1-bicyclo[2.2.2]octanyl)-3-methyl-1,2,4-oxadiazole
CID 153246826
1-(4-methoxy-2-methylphenyl)-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea
CID 71792017
N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-2-thiophen-3-ylacetamide
CID 71791995
1-[cyclopropyl(pyridin-3-yl)methyl]-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]urea
CID 138023021
1-(2-ethylquinolin-4-yl)-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]urea
CID 146109489

Frequently Asked Questions

What is the IUPAC name of 1-N'-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]ethene-1,1-diamine?
The IUPAC name of 1-N'-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]ethene-1,1-diamine (CID 129286690) is 1-N'-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]ethene-1,1-diamine.
What is the SMILES notation for 1-N'-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]ethene-1,1-diamine?
The canonical SMILES for 1-N'-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]ethene-1,1-diamine is C=C(N)NC1(c2nc(C)no2)CC1.
What is the InChIKey of 1-N'-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]ethene-1,1-diamine?
The InChIKey is HRMSKKXQIYZZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-5(9)11-8(3-4-8)7-10-6(2)12-13-7/h11H,1,3-4,9H2,2H3.
What are the key properties of 1-N'-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]ethene-1,1-diamine?
1-N'-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]ethene-1,1-diamine has a molecular weight of 180.21 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]ethene-1,1-diamine is sourced from PubChem (CID 129286690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).