3-(3-bicyclo[3.1.0]hexanyl)-4-cyclopropyl-1,2,4-triazole

C11H15N3 — CID 115394295

IUPAC3-(3-bicyclo[3.1.0]hexanyl)-4-cyclopropyl-1,2,4-triazole
SMILESc1nnc(C2CC3CC3C2)n1C1CC1
InChIInChI=1S/C11H15N3/c1-2-10(1)14-6-12-13-11(14)9-4-7-3-8(7)5-9/h6-10H,1-5H2
InChIKeyTZHBLOVOYBMADP-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.13
Rot. Bonds2

About 3-(3-bicyclo[3.1.0]hexanyl)-4-cyclopropyl-1,2,4-triazole

3-(3-bicyclo[3.1.0]hexanyl)-4-cyclopropyl-1,2,4-triazole (PubChem CID 115394295) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-(3-bicyclo[3.1.0]hexanyl)-4-cyclopropyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(3-bicyclo[3.1.0]hexanyl)-4-cyclopropyl-1,2,4-triazole
PubChem CID115394295
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name3-(3-bicyclo[3.1.0]hexanyl)-4-cyclopropyl-1,2,4-triazole
SMILESc1nnc(C2CC3CC3C2)n1C1CC1
InChIInChI=1S/C11H15N3/c1-2-10(1)14-6-12-13-11(14)9-4-7-3-8(7)5-9/h6-10H,1-5H2
InChIKeyTZHBLOVOYBMADP-UHFFFAOYSA-N
XLogP2.13
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-cyclopropyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid
CID 103552376
4-(4-cyclopropyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine
CID 79210341
(2R)-2-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine
CID 104915223
1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one
CID 126758367
3-(4-cyclopentyl-1,2,4-triazol-3-yl)piperidine
CID 62710235
4-cyclopropyl-1,2,4-triazole-3-carbaldehyde
CID 83872252
2-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole
CID 133448620
3-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine
CID 133448651
(4-cyclopropyl-1,2,4-triazol-3-yl)methanamine
CID 50988415
4-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]piperidine
CID 62697192
4-cyclopropyl-3-(2,3-dihydro-1-benzofuran-2-yl)-1,2,4-triazole
CID 113301154
4-cyclopropyl-3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-triazole
CID 113301117

Frequently Asked Questions

What is the IUPAC name of 3-(3-bicyclo[3.1.0]hexanyl)-4-cyclopropyl-1,2,4-triazole?
The IUPAC name of 3-(3-bicyclo[3.1.0]hexanyl)-4-cyclopropyl-1,2,4-triazole (CID 115394295) is 3-(3-bicyclo[3.1.0]hexanyl)-4-cyclopropyl-1,2,4-triazole.
What is the SMILES notation for 3-(3-bicyclo[3.1.0]hexanyl)-4-cyclopropyl-1,2,4-triazole?
The canonical SMILES for 3-(3-bicyclo[3.1.0]hexanyl)-4-cyclopropyl-1,2,4-triazole is c1nnc(C2CC3CC3C2)n1C1CC1.
What is the InChIKey of 3-(3-bicyclo[3.1.0]hexanyl)-4-cyclopropyl-1,2,4-triazole?
The InChIKey is TZHBLOVOYBMADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-2-10(1)14-6-12-13-11(14)9-4-7-3-8(7)5-9/h6-10H,1-5H2.
What are the key properties of 3-(3-bicyclo[3.1.0]hexanyl)-4-cyclopropyl-1,2,4-triazole?
3-(3-bicyclo[3.1.0]hexanyl)-4-cyclopropyl-1,2,4-triazole has a molecular weight of 189.26 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bicyclo[3.1.0]hexanyl)-4-cyclopropyl-1,2,4-triazole is sourced from PubChem (CID 115394295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).