3-cyclopentyl-5-cyclopropyltriazole-4-carbaldehyde

C11H15N3O — CID 105457641

IUPAC3-cyclopentyl-5-cyclopropyltriazole-4-carbaldehyde
SMILESO=Cc1c(C2CC2)nnn1C1CCCC1
InChIInChI=1S/C11H15N3O/c15-7-10-11(8-5-6-8)12-13-14(10)9-3-1-2-4-9/h7-9H,1-6H2
InChIKeyRVDFVVRGGTWBHC-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.08
Rot. Bonds3

About 3-cyclopentyl-5-cyclopropyltriazole-4-carbaldehyde

3-cyclopentyl-5-cyclopropyltriazole-4-carbaldehyde (PubChem CID 105457641) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-cyclopentyl-5-cyclopropyltriazole-4-carbaldehyde.

Molecular Properties

Compound Name3-cyclopentyl-5-cyclopropyltriazole-4-carbaldehyde
PubChem CID105457641
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name3-cyclopentyl-5-cyclopropyltriazole-4-carbaldehyde
SMILESO=Cc1c(C2CC2)nnn1C1CCCC1
InChIInChI=1S/C11H15N3O/c15-7-10-11(8-5-6-8)12-13-14(10)9-3-1-2-4-9/h7-9H,1-6H2
InChIKeyRVDFVVRGGTWBHC-UHFFFAOYSA-N
XLogP2.08
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-cycloheptyl-3-methyltriazole-4-carbaldehyde
CID 105460836
3-cyclohexyl-5-ethyltriazole-4-carbaldehyde
CID 105460839
3-cycloheptyl-5-ethyltriazole-4-carbaldehyde
CID 105478077
1-cyclohexyl-5-cyclopropyltriazole-4-carbaldehyde
CID 105474430
5-cyclopropyl-3-propan-2-yltriazole-4-carbaldehyde
CID 105438174
(3-cyclobutyl-5-cyclopentyltriazol-4-yl)methanamine
CID 105476755
1-cyclopentyltetrazole-5-carbaldehyde
CID 83873473
5-cyclopropyl-3-(4-fluorophenyl)triazole-4-carbaldehyde
CID 105489033
4-cyclopentyl-1,2,4-triazole-3-carbaldehyde
CID 83873342
5-cyclobutyl-1-cyclopentyltriazol-4-amine
CID 105459688
4-cyclobutyl-1,2,4-triazole-3-carbaldehyde
CID 83872512
2-cyclohexyl-4,5,6,7-tetrahydroindazole-3-carbaldehyde
CID 105491752

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-5-cyclopropyltriazole-4-carbaldehyde?
The IUPAC name of 3-cyclopentyl-5-cyclopropyltriazole-4-carbaldehyde (CID 105457641) is 3-cyclopentyl-5-cyclopropyltriazole-4-carbaldehyde.
What is the SMILES notation for 3-cyclopentyl-5-cyclopropyltriazole-4-carbaldehyde?
The canonical SMILES for 3-cyclopentyl-5-cyclopropyltriazole-4-carbaldehyde is O=Cc1c(C2CC2)nnn1C1CCCC1.
What is the InChIKey of 3-cyclopentyl-5-cyclopropyltriazole-4-carbaldehyde?
The InChIKey is RVDFVVRGGTWBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c15-7-10-11(8-5-6-8)12-13-14(10)9-3-1-2-4-9/h7-9H,1-6H2.
What are the key properties of 3-cyclopentyl-5-cyclopropyltriazole-4-carbaldehyde?
3-cyclopentyl-5-cyclopropyltriazole-4-carbaldehyde has a molecular weight of 205.26 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-5-cyclopropyltriazole-4-carbaldehyde is sourced from PubChem (CID 105457641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).