1-pyrrolidin-3-yltriazole;dihydrochloride

C6H12Cl2N4 — CID 112758024

IUPAC1-pyrrolidin-3-yltriazole;dihydrochloride
SMILESCl.Cl.c1cn(C2CCNC2)nn1
InChIInChI=1S/C6H10N4.2ClH/c1-2-7-5-6(1)10-4-3-8-9-10;;/h3-4,6-7H,1-2,5H2;2*1H
InChIKeyVEAVKKCPYFVAGM-UHFFFAOYSA-N
MW211.10 g/mol
LogP0.66
Rot. Bonds1

About 1-pyrrolidin-3-yltriazole;dihydrochloride

1-pyrrolidin-3-yltriazole;dihydrochloride (PubChem CID 112758024) has the molecular formula C6H12Cl2N4 and a molecular weight of 211.10 g/mol. Its IUPAC name is 1-pyrrolidin-3-yltriazole;dihydrochloride.

Molecular Properties

Compound Name1-pyrrolidin-3-yltriazole;dihydrochloride
PubChem CID112758024
Molecular FormulaC6H12Cl2N4
Molecular Weight211.10 g/mol
Exact Mass210.04
IUPAC Name1-pyrrolidin-3-yltriazole;dihydrochloride
SMILESCl.Cl.c1cn(C2CCNC2)nn1
InChIInChI=1S/C6H10N4.2ClH/c1-2-7-5-6(1)10-4-3-8-9-10;;/h3-4,6-7H,1-2,5H2;2*1H
InChIKeyVEAVKKCPYFVAGM-UHFFFAOYSA-N
XLogP0.66
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.10
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-3-yltriazole;dihydrochloride?
The IUPAC name of 1-pyrrolidin-3-yltriazole;dihydrochloride (CID 112758024) is 1-pyrrolidin-3-yltriazole;dihydrochloride.
What is the SMILES notation for 1-pyrrolidin-3-yltriazole;dihydrochloride?
The canonical SMILES for 1-pyrrolidin-3-yltriazole;dihydrochloride is Cl.Cl.c1cn(C2CCNC2)nn1.
What is the InChIKey of 1-pyrrolidin-3-yltriazole;dihydrochloride?
The InChIKey is VEAVKKCPYFVAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4.2ClH/c1-2-7-5-6(1)10-4-3-8-9-10;;/h3-4,6-7H,1-2,5H2;2*1H.
What are the key properties of 1-pyrrolidin-3-yltriazole;dihydrochloride?
1-pyrrolidin-3-yltriazole;dihydrochloride has a molecular weight of 211.10 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-3-yltriazole;dihydrochloride is sourced from PubChem (CID 112758024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).