4-cyclopropyl-1-pyrrolidin-3-yltriazole;dihydrochloride

C9H16Cl2N4 — CID 119099197

IUPAC4-cyclopropyl-1-pyrrolidin-3-yltriazole;dihydrochloride
SMILESCl.Cl.c1c(C2CC2)nnn1C1CCNC1
InChIInChI=1S/C9H14N4.2ClH/c1-2-7(1)9-6-13(12-11-9)8-3-4-10-5-8;;/h6-8,10H,1-5H2;2*1H
InChIKeyVLXKXJJQBHMLIX-UHFFFAOYSA-N
MW251.16 g/mol
LogP1.53
Rot. Bonds2

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

4-cyclopropyl-1-pyrrolidin-3-yltriazole;dihydrochloride (PubChem CID 119099197) has the molecular formula C9H16Cl2N4 and a molecular weight of 251.16 g/mol. Its IUPAC name is 4-cyclopropyl-1-pyrrolidin-3-yltriazole;dihydrochloride.

Molecular Properties

Compound Name4-cyclopropyl-1-pyrrolidin-3-yltriazole;dihydrochloride
PubChem CID119099197
Molecular FormulaC9H16Cl2N4
Molecular Weight251.16 g/mol
Exact Mass250.08
IUPAC Name4-cyclopropyl-1-pyrrolidin-3-yltriazole;dihydrochloride
SMILESCl.Cl.c1c(C2CC2)nnn1C1CCNC1
InChIInChI=1S/C9H14N4.2ClH/c1-2-7(1)9-6-13(12-11-9)8-3-4-10-5-8;;/h6-8,10H,1-5H2;2*1H
InChIKeyVLXKXJJQBHMLIX-UHFFFAOYSA-N
XLogP1.53
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.16
LogP ≤ 51.53
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;dihydrochloride?
The IUPAC name of 4-cyclopropyl-1-pyrrolidin-3-yltriazole;dihydrochloride (CID 119099197) is 4-cyclopropyl-1-pyrrolidin-3-yltriazole;dihydrochloride.
What is the SMILES notation for 4-cyclopropyl-1-pyrrolidin-3-yltriazole;dihydrochloride?
The canonical SMILES for 4-cyclopropyl-1-pyrrolidin-3-yltriazole;dihydrochloride is Cl.Cl.c1c(C2CC2)nnn1C1CCNC1.
What is the InChIKey of 4-cyclopropyl-1-pyrrolidin-3-yltriazole;dihydrochloride?
The InChIKey is VLXKXJJQBHMLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4.2ClH/c1-2-7(1)9-6-13(12-11-9)8-3-4-10-5-8;;/h6-8,10H,1-5H2;2*1H.
What are the key properties of 4-cyclopropyl-1-pyrrolidin-3-yltriazole;dihydrochloride?
4-cyclopropyl-1-pyrrolidin-3-yltriazole;dihydrochloride has a molecular weight of 251.16 g/mol, XLogP of 1.53, 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;dihydrochloride is sourced from PubChem (CID 119099197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).