4-[4-(5-methylidene-4H-1,3-oxazol-2-yl)triazol-1-yl]cyclohexan-1-amine

C12H17N5O — CID 162042327

IUPAC4-[4-(5-methylidene-4H-1,3-oxazol-2-yl)triazol-1-yl]cyclohexan-1-amine
SMILESC=C1CN=C(c2cn(C3CCC(N)CC3)nn2)O1
InChIInChI=1S/C12H17N5O/c1-8-6-14-12(18-8)11-7-17(16-15-11)10-4-2-9(13)3-5-10/h7,9-10H,1-6,13H2
InChIKeyOAXCSMRJICDKOB-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.01
Rot. Bonds2

About 4-[4-(5-methylidene-4H-1,3-oxazol-2-yl)triazol-1-yl]cyclohexan-1-amine

4-[4-(5-methylidene-4H-1,3-oxazol-2-yl)triazol-1-yl]cyclohexan-1-amine (PubChem CID 162042327) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-[4-(5-methylidene-4H-1,3-oxazol-2-yl)triazol-1-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[4-(5-methylidene-4H-1,3-oxazol-2-yl)triazol-1-yl]cyclohexan-1-amine
PubChem CID162042327
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name4-[4-(5-methylidene-4H-1,3-oxazol-2-yl)triazol-1-yl]cyclohexan-1-amine
SMILESC=C1CN=C(c2cn(C3CCC(N)CC3)nn2)O1
InChIInChI=1S/C12H17N5O/c1-8-6-14-12(18-8)11-7-17(16-15-11)10-4-2-9(13)3-5-10/h7,9-10H,1-6,13H2
InChIKeyOAXCSMRJICDKOB-UHFFFAOYSA-N
XLogP1.01
TPSA78.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[1-(4-aminocyclohexyl)triazol-4-yl]-1,3,4-oxadiazole-2-carboxylic acid
CID 161297081
4-[4-[2-(2,4-difluorophenyl)-1,2,4-triazol-3-yl]triazol-1-yl]cyclohexan-1-amine
CID 131946870
cis-(1S,3R)-3-(4-ethyltriazol-1-yl)cyclopentan-1-amine
CID 165447966
[1-[(1S,3R)-3-aminocyclopentyl]triazol-4-yl]methanol
CID 165444649
3-(1-piperidin-4-yltriazol-4-yl)-2,5-dihydro-1,2,4-oxadiazole
CID 146448623
4-bromo-1-(oxan-4-yl)triazole
CID 130138844
2-(1-cyclopropyltriazol-4-yl)ethanamine
CID 84649663
[1-(4-aminocyclohexyl)triazol-4-yl]-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone
CID 74247946
N,N-dimethyl-3-[1-(4-methylcyclohexyl)triazol-4-yl]bicyclo[1.1.1]pentan-1-amine
CID 155261068
1-(4-aminocyclohexyl)-N-[2-[methyl(methylsulfonyl)amino]ethyl]triazole-4-carboxamide
CID 70706077
[1-(4-aminocyclohexyl)triazol-4-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone
CID 70720670
1-(4-aminocyclohexyl)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]triazole-4-carboxamide
CID 70788678

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-methylidene-4H-1,3-oxazol-2-yl)triazol-1-yl]cyclohexan-1-amine?
The IUPAC name of 4-[4-(5-methylidene-4H-1,3-oxazol-2-yl)triazol-1-yl]cyclohexan-1-amine (CID 162042327) is 4-[4-(5-methylidene-4H-1,3-oxazol-2-yl)triazol-1-yl]cyclohexan-1-amine.
What is the SMILES notation for 4-[4-(5-methylidene-4H-1,3-oxazol-2-yl)triazol-1-yl]cyclohexan-1-amine?
The canonical SMILES for 4-[4-(5-methylidene-4H-1,3-oxazol-2-yl)triazol-1-yl]cyclohexan-1-amine is C=C1CN=C(c2cn(C3CCC(N)CC3)nn2)O1.
What is the InChIKey of 4-[4-(5-methylidene-4H-1,3-oxazol-2-yl)triazol-1-yl]cyclohexan-1-amine?
The InChIKey is OAXCSMRJICDKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-8-6-14-12(18-8)11-7-17(16-15-11)10-4-2-9(13)3-5-10/h7,9-10H,1-6,13H2.
What are the key properties of 4-[4-(5-methylidene-4H-1,3-oxazol-2-yl)triazol-1-yl]cyclohexan-1-amine?
4-[4-(5-methylidene-4H-1,3-oxazol-2-yl)triazol-1-yl]cyclohexan-1-amine has a molecular weight of 247.30 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-methylidene-4H-1,3-oxazol-2-yl)triazol-1-yl]cyclohexan-1-amine is sourced from PubChem (CID 162042327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).