1-pyrrolidin-3-yltriazole;hydrochloride

C6H11ClN4 — CID 19005943

IUPAC1-pyrrolidin-3-yltriazole;hydrochloride
SMILESCl.c1cn(C2CCNC2)nn1
InChIInChI=1S/C6H10N4.ClH/c1-2-7-5-6(1)10-4-3-8-9-10;/h3-4,6-7H,1-2,5H2;1H
InChIKeyYPNLWZODFWQDNS-UHFFFAOYSA-N
MW174.63 g/mol
LogP0.23
Rot. Bonds1

About 1-pyrrolidin-3-yltriazole;hydrochloride

1-pyrrolidin-3-yltriazole;hydrochloride (PubChem CID 19005943) has the molecular formula C6H11ClN4 and a molecular weight of 174.63 g/mol. Its IUPAC name is 1-pyrrolidin-3-yltriazole;hydrochloride.

Molecular Properties

Compound Name1-pyrrolidin-3-yltriazole;hydrochloride
PubChem CID19005943
Molecular FormulaC6H11ClN4
Molecular Weight174.63 g/mol
Exact Mass174.07
IUPAC Name1-pyrrolidin-3-yltriazole;hydrochloride
SMILESCl.c1cn(C2CCNC2)nn1
InChIInChI=1S/C6H10N4.ClH/c1-2-7-5-6(1)10-4-3-8-9-10;/h3-4,6-7H,1-2,5H2;1H
InChIKeyYPNLWZODFWQDNS-UHFFFAOYSA-N
XLogP0.23
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.63
LogP ≤ 50.23
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;hydrochloride?
The IUPAC name of 1-pyrrolidin-3-yltriazole;hydrochloride (CID 19005943) is 1-pyrrolidin-3-yltriazole;hydrochloride.
What is the SMILES notation for 1-pyrrolidin-3-yltriazole;hydrochloride?
The canonical SMILES for 1-pyrrolidin-3-yltriazole;hydrochloride is Cl.c1cn(C2CCNC2)nn1.
What is the InChIKey of 1-pyrrolidin-3-yltriazole;hydrochloride?
The InChIKey is YPNLWZODFWQDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4.ClH/c1-2-7-5-6(1)10-4-3-8-9-10;/h3-4,6-7H,1-2,5H2;1H.
What are the key properties of 1-pyrrolidin-3-yltriazole;hydrochloride?
1-pyrrolidin-3-yltriazole;hydrochloride has a molecular weight of 174.63 g/mol, XLogP of 0.23, 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;hydrochloride is sourced from PubChem (CID 19005943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).