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

C11H18N4O — CID 63335690

IUPACN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]oxolan-3-amine
SMILESCC(NC1CCOC1)c1nnc2n1CCC2
InChIInChI=1S/C11H18N4O/c1-8(12-9-4-6-16-7-9)11-14-13-10-3-2-5-15(10)11/h8-9,12H,2-7H2,1H3
InChIKeySYXILSAUIRSQRY-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.66
Rot. Bonds3

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

N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]oxolan-3-amine (PubChem CID 63335690) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]oxolan-3-amine.

Molecular Properties

Compound NameN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]oxolan-3-amine
PubChem CID63335690
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]oxolan-3-amine
SMILESCC(NC1CCOC1)c1nnc2n1CCC2
InChIInChI=1S/C11H18N4O/c1-8(12-9-4-6-16-7-9)11-14-13-10-3-2-5-15(10)11/h8-9,12H,2-7H2,1H3
InChIKeySYXILSAUIRSQRY-UHFFFAOYSA-N
XLogP0.66
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]oxolan-3-amine?
The IUPAC name of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]oxolan-3-amine (CID 63335690) is N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]oxolan-3-amine.
What is the SMILES notation for N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]oxolan-3-amine?
The canonical SMILES for N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]oxolan-3-amine is CC(NC1CCOC1)c1nnc2n1CCC2.
What is the InChIKey of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]oxolan-3-amine?
The InChIKey is SYXILSAUIRSQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8(12-9-4-6-16-7-9)11-14-13-10-3-2-5-15(10)11/h8-9,12H,2-7H2,1H3.
What are the key properties of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]oxolan-3-amine?
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]oxolan-3-amine has a molecular weight of 222.29 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]oxolan-3-amine is sourced from PubChem (CID 63335690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).