3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)oxolan-3-amine

C9H14N4O — CID 64889786

IUPAC3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)oxolan-3-amine
SMILESNC1(c2nnc3n2CCC3)CCOC1
InChIInChI=1S/C9H14N4O/c10-9(3-5-14-6-9)8-12-11-7-2-1-4-13(7)8/h1-6,10H2
InChIKeyCWZFRCKNAASYHA-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.20
Rot. Bonds1

About 3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)oxolan-3-amine

3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)oxolan-3-amine (PubChem CID 64889786) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)oxolan-3-amine.

Molecular Properties

Compound Name3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)oxolan-3-amine
PubChem CID64889786
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)oxolan-3-amine
SMILESNC1(c2nnc3n2CCC3)CCOC1
InChIInChI=1S/C9H14N4O/c10-9(3-5-14-6-9)8-12-11-7-2-1-4-13(7)8/h1-6,10H2
InChIKeyCWZFRCKNAASYHA-UHFFFAOYSA-N
XLogP-0.20
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)oxolan-3-amine?
The IUPAC name of 3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)oxolan-3-amine (CID 64889786) is 3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)oxolan-3-amine.
What is the SMILES notation for 3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)oxolan-3-amine?
The canonical SMILES for 3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)oxolan-3-amine is NC1(c2nnc3n2CCC3)CCOC1.
What is the InChIKey of 3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)oxolan-3-amine?
The InChIKey is CWZFRCKNAASYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c10-9(3-5-14-6-9)8-12-11-7-2-1-4-13(7)8/h1-6,10H2.
What are the key properties of 3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)oxolan-3-amine?
3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)oxolan-3-amine has a molecular weight of 194.24 g/mol, XLogP of -0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)oxolan-3-amine is sourced from PubChem (CID 64889786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).