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

C6H10N4 — CID 54253477

IUPAC5-pyrrolidin-3-yl-1H-1,2,4-triazole
SMILESc1n[nH]c(C2CCNC2)n1
InChIInChI=1S/C6H10N4/c1-2-7-3-5(1)6-8-4-9-10-6/h4-5,7H,1-3H2,(H,8,9,10)
InChIKeyQYJWNAPCFRKSAD-UHFFFAOYSA-N
MW138.17 g/mol
LogP-0.12
Rot. Bonds1

About 5-pyrrolidin-3-yl-1H-1,2,4-triazole

5-pyrrolidin-3-yl-1H-1,2,4-triazole (PubChem CID 54253477) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is 5-pyrrolidin-3-yl-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-pyrrolidin-3-yl-1H-1,2,4-triazole
PubChem CID54253477
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC Name5-pyrrolidin-3-yl-1H-1,2,4-triazole
SMILESc1n[nH]c(C2CCNC2)n1
InChIInChI=1S/C6H10N4/c1-2-7-3-5(1)6-8-4-9-10-6/h4-5,7H,1-3H2,(H,8,9,10)
InChIKeyQYJWNAPCFRKSAD-UHFFFAOYSA-N
XLogP-0.12
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-3-yl-1H-1,2,4-triazole?
The IUPAC name of 5-pyrrolidin-3-yl-1H-1,2,4-triazole (CID 54253477) is 5-pyrrolidin-3-yl-1H-1,2,4-triazole.
What is the SMILES notation for 5-pyrrolidin-3-yl-1H-1,2,4-triazole?
The canonical SMILES for 5-pyrrolidin-3-yl-1H-1,2,4-triazole is c1n[nH]c(C2CCNC2)n1.
What is the InChIKey of 5-pyrrolidin-3-yl-1H-1,2,4-triazole?
The InChIKey is QYJWNAPCFRKSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4/c1-2-7-3-5(1)6-8-4-9-10-6/h4-5,7H,1-3H2,(H,8,9,10).
What are the key properties of 5-pyrrolidin-3-yl-1H-1,2,4-triazole?
5-pyrrolidin-3-yl-1H-1,2,4-triazole has a molecular weight of 138.17 g/mol, XLogP of -0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-3-yl-1H-1,2,4-triazole is sourced from PubChem (CID 54253477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).