4-cyclopropyl-1-pyrrolidin-3-yltriazole

C9H14N4 — CID 91623932

IUPAC4-cyclopropyl-1-pyrrolidin-3-yltriazole
SMILESc1c(C2CC2)nnn1C1CCNC1
InChIInChI=1S/C9H14N4/c1-2-7(1)9-6-13(12-11-9)8-3-4-10-5-8/h6-8,10H,1-5H2
InChIKeyCDMVQRUGJHHERZ-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.69
Rot. Bonds2

About 4-cyclopropyl-1-pyrrolidin-3-yltriazole

4-cyclopropyl-1-pyrrolidin-3-yltriazole (PubChem CID 91623932) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 4-cyclopropyl-1-pyrrolidin-3-yltriazole.

Molecular Properties

Compound Name4-cyclopropyl-1-pyrrolidin-3-yltriazole
PubChem CID91623932
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name4-cyclopropyl-1-pyrrolidin-3-yltriazole
SMILESc1c(C2CC2)nnn1C1CCNC1
InChIInChI=1S/C9H14N4/c1-2-7(1)9-6-13(12-11-9)8-3-4-10-5-8/h6-8,10H,1-5H2
InChIKeyCDMVQRUGJHHERZ-UHFFFAOYSA-N
XLogP0.69
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-1-pyrrolidin-3-yltriazole?
The IUPAC name of 4-cyclopropyl-1-pyrrolidin-3-yltriazole (CID 91623932) is 4-cyclopropyl-1-pyrrolidin-3-yltriazole.
What is the SMILES notation for 4-cyclopropyl-1-pyrrolidin-3-yltriazole?
The canonical SMILES for 4-cyclopropyl-1-pyrrolidin-3-yltriazole is c1c(C2CC2)nnn1C1CCNC1.
What is the InChIKey of 4-cyclopropyl-1-pyrrolidin-3-yltriazole?
The InChIKey is CDMVQRUGJHHERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-2-7(1)9-6-13(12-11-9)8-3-4-10-5-8/h6-8,10H,1-5H2.
What are the key properties of 4-cyclopropyl-1-pyrrolidin-3-yltriazole?
4-cyclopropyl-1-pyrrolidin-3-yltriazole has a molecular weight of 178.24 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1-pyrrolidin-3-yltriazole is sourced from PubChem (CID 91623932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).