1-pyrrolidin-3-yltriazol-4-amine;dihydrochloride

C6H13Cl2N5 — CID 19005938

IUPAC1-pyrrolidin-3-yltriazol-4-amine;dihydrochloride
SMILESCl.Cl.Nc1cn(C2CCNC2)nn1
InChIInChI=1S/C6H11N5.2ClH/c7-6-4-11(10-9-6)5-1-2-8-3-5;;/h4-5,8H,1-3,7H2;2*1H
InChIKeyDYORTJKCIDGKJP-UHFFFAOYSA-N
MW226.11 g/mol
LogP0.24
Rot. Bonds1

About 1-pyrrolidin-3-yltriazol-4-amine;dihydrochloride

1-pyrrolidin-3-yltriazol-4-amine;dihydrochloride (PubChem CID 19005938) has the molecular formula C6H13Cl2N5 and a molecular weight of 226.11 g/mol. Its IUPAC name is 1-pyrrolidin-3-yltriazol-4-amine;dihydrochloride.

Molecular Properties

Compound Name1-pyrrolidin-3-yltriazol-4-amine;dihydrochloride
PubChem CID19005938
Molecular FormulaC6H13Cl2N5
Molecular Weight226.11 g/mol
Exact Mass225.05
IUPAC Name1-pyrrolidin-3-yltriazol-4-amine;dihydrochloride
SMILESCl.Cl.Nc1cn(C2CCNC2)nn1
InChIInChI=1S/C6H11N5.2ClH/c7-6-4-11(10-9-6)5-1-2-8-3-5;;/h4-5,8H,1-3,7H2;2*1H
InChIKeyDYORTJKCIDGKJP-UHFFFAOYSA-N
XLogP0.24
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.11
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-pyrrolidin-3-yltriazol-4-amine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-3-yltriazol-4-amine;dihydrochloride?
The IUPAC name of 1-pyrrolidin-3-yltriazol-4-amine;dihydrochloride (CID 19005938) is 1-pyrrolidin-3-yltriazol-4-amine;dihydrochloride.
What is the SMILES notation for 1-pyrrolidin-3-yltriazol-4-amine;dihydrochloride?
The canonical SMILES for 1-pyrrolidin-3-yltriazol-4-amine;dihydrochloride is Cl.Cl.Nc1cn(C2CCNC2)nn1.
What is the InChIKey of 1-pyrrolidin-3-yltriazol-4-amine;dihydrochloride?
The InChIKey is DYORTJKCIDGKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5.2ClH/c7-6-4-11(10-9-6)5-1-2-8-3-5;;/h4-5,8H,1-3,7H2;2*1H.
What are the key properties of 1-pyrrolidin-3-yltriazol-4-amine;dihydrochloride?
1-pyrrolidin-3-yltriazol-4-amine;dihydrochloride has a molecular weight of 226.11 g/mol, XLogP of 0.24, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-3-yltriazol-4-amine;dihydrochloride is sourced from PubChem (CID 19005938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).