4-pyrrolidin-3-yl-2H-triazole

C6H10N4 — CID 54238328

IUPAC4-pyrrolidin-3-yl-2H-triazole
SMILESc1n[nH]nc1C1CCNC1
InChIInChI=1S/C6H10N4/c1-2-7-3-5(1)6-4-8-10-9-6/h4-5,7H,1-3H2,(H,8,9,10)
InChIKeyQOEJYIBQPHBARE-UHFFFAOYSA-N
MW138.17 g/mol
LogP-0.12
Rot. Bonds1

About 4-pyrrolidin-3-yl-2H-triazole

4-pyrrolidin-3-yl-2H-triazole (PubChem CID 54238328) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is 4-pyrrolidin-3-yl-2H-triazole.

Molecular Properties

Compound Name4-pyrrolidin-3-yl-2H-triazole
PubChem CID54238328
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC Name4-pyrrolidin-3-yl-2H-triazole
SMILESc1n[nH]nc1C1CCNC1
InChIInChI=1S/C6H10N4/c1-2-7-3-5(1)6-4-8-10-9-6/h4-5,7H,1-3H2,(H,8,9,10)
InChIKeyQOEJYIBQPHBARE-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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Related Compounds

(3R)-3-(2H-triazol-4-yl)piperidine;hydrochloride
CID 170900819
2-pyrrolidin-3-ylpyrazine;hydrochloride
CID 71744154
5-pyrrolidin-3-ylpyrimidine
CID 66996535
4-[(3R)-pyrrolidin-3-yl]-1H-pyrazole
CID 96637487
3-pyrrolidin-3-ylisoquinoline
CID 84774980
4-[(3R)-pyrrolidin-3-yl]pyrimidine
CID 129369776
2,4-di(pyrrolidin-3-yl)-1,3-thiazole
CID 115034162
5-fluoro-4-pyrrolidin-3-yl-1H-pyrazole
CID 139344016
2-bromo-4-pyrrolidin-3-yl-1,3-thiazole
CID 115039273
2-chloro-3-methyl-5-pyrrolidin-3-ylpyrazine
CID 83831453
4-ethyl-5-pyrrolidin-3-yl-1,2-oxazole
CID 82414141
4-bromo-5-fluoro-2-pyrrolidin-3-ylpyridine
CID 130153359

Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-3-yl-2H-triazole?
The IUPAC name of 4-pyrrolidin-3-yl-2H-triazole (CID 54238328) is 4-pyrrolidin-3-yl-2H-triazole.
What is the SMILES notation for 4-pyrrolidin-3-yl-2H-triazole?
The canonical SMILES for 4-pyrrolidin-3-yl-2H-triazole is c1n[nH]nc1C1CCNC1.
What is the InChIKey of 4-pyrrolidin-3-yl-2H-triazole?
The InChIKey is QOEJYIBQPHBARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4/c1-2-7-3-5(1)6-4-8-10-9-6/h4-5,7H,1-3H2,(H,8,9,10).
What are the key properties of 4-pyrrolidin-3-yl-2H-triazole?
4-pyrrolidin-3-yl-2H-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 4-pyrrolidin-3-yl-2H-triazole is sourced from PubChem (CID 54238328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).