1-pyrrolidin-3-yl-1,2,4-triazole

C6H10N4 — CID 19005995

IUPAC1-pyrrolidin-3-yl-1,2,4-triazole
SMILESc1ncn(C2CCNC2)n1
InChIInChI=1S/C6H10N4/c1-2-7-3-6(1)10-5-8-4-9-10/h4-7H,1-3H2
InChIKeyZTTBKRUMCUODGW-UHFFFAOYSA-N
MW138.17 g/mol
LogP-0.19
Rot. Bonds1

About 1-pyrrolidin-3-yl-1,2,4-triazole

1-pyrrolidin-3-yl-1,2,4-triazole (PubChem CID 19005995) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is 1-pyrrolidin-3-yl-1,2,4-triazole.

Molecular Properties

Compound Name1-pyrrolidin-3-yl-1,2,4-triazole
PubChem CID19005995
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC Name1-pyrrolidin-3-yl-1,2,4-triazole
SMILESc1ncn(C2CCNC2)n1
InChIInChI=1S/C6H10N4/c1-2-7-3-6(1)10-5-8-4-9-10/h4-7H,1-3H2
InChIKeyZTTBKRUMCUODGW-UHFFFAOYSA-N
XLogP-0.19
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-3-yl-1,2,4-triazole?
The IUPAC name of 1-pyrrolidin-3-yl-1,2,4-triazole (CID 19005995) is 1-pyrrolidin-3-yl-1,2,4-triazole.
What is the SMILES notation for 1-pyrrolidin-3-yl-1,2,4-triazole?
The canonical SMILES for 1-pyrrolidin-3-yl-1,2,4-triazole is c1ncn(C2CCNC2)n1.
What is the InChIKey of 1-pyrrolidin-3-yl-1,2,4-triazole?
The InChIKey is ZTTBKRUMCUODGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4/c1-2-7-3-6(1)10-5-8-4-9-10/h4-7H,1-3H2.
What are the key properties of 1-pyrrolidin-3-yl-1,2,4-triazole?
1-pyrrolidin-3-yl-1,2,4-triazole has a molecular weight of 138.17 g/mol, XLogP of -0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-3-yl-1,2,4-triazole is sourced from PubChem (CID 19005995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).