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

C6H10N4 — CID 69380848

IUPAC1-pyrrolidin-1-yl-1,2,4-triazole
SMILESc1ncn(N2CCCC2)n1
InChIInChI=1S/C6H10N4/c1-2-4-9(3-1)10-6-7-5-8-10/h5-6H,1-4H2
InChIKeyYJQWIWLPAQYHRI-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.01
Rot. Bonds1

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

1-pyrrolidin-1-yl-1,2,4-triazole (PubChem CID 69380848) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-1,2,4-triazole.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-1,2,4-triazole
PubChem CID69380848
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC Name1-pyrrolidin-1-yl-1,2,4-triazole
SMILESc1ncn(N2CCCC2)n1
InChIInChI=1S/C6H10N4/c1-2-4-9(3-1)10-6-7-5-8-10/h5-6H,1-4H2
InChIKeyYJQWIWLPAQYHRI-UHFFFAOYSA-N
XLogP0.01
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-1,2,4-triazole?
The IUPAC name of 1-pyrrolidin-1-yl-1,2,4-triazole (CID 69380848) is 1-pyrrolidin-1-yl-1,2,4-triazole.
What is the SMILES notation for 1-pyrrolidin-1-yl-1,2,4-triazole?
The canonical SMILES for 1-pyrrolidin-1-yl-1,2,4-triazole is c1ncn(N2CCCC2)n1.
What is the InChIKey of 1-pyrrolidin-1-yl-1,2,4-triazole?
The InChIKey is YJQWIWLPAQYHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4/c1-2-4-9(3-1)10-6-7-5-8-10/h5-6H,1-4H2.
What are the key properties of 1-pyrrolidin-1-yl-1,2,4-triazole?
1-pyrrolidin-1-yl-1,2,4-triazole has a molecular weight of 138.17 g/mol, XLogP of 0.01, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-1,2,4-triazole is sourced from PubChem (CID 69380848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).