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

C7H12N4O — CID 82413277

IUPAC3-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-amine
SMILESCOCc1nnc2n1CC(N)C2
InChIInChI=1S/C7H12N4O/c1-12-4-7-10-9-6-2-5(8)3-11(6)7/h5H,2-4,8H2,1H3
InChIKeyORDFXSYEZDIVCC-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.69
Rot. Bonds2

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

3-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-amine (PubChem CID 82413277) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 3-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-amine.

Molecular Properties

Compound Name3-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-amine
PubChem CID82413277
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name3-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-amine
SMILESCOCc1nnc2n1CC(N)C2
InChIInChI=1S/C7H12N4O/c1-12-4-7-10-9-6-2-5(8)3-11(6)7/h5H,2-4,8H2,1H3
InChIKeyORDFXSYEZDIVCC-UHFFFAOYSA-N
XLogP-0.69
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-amine?
The IUPAC name of 3-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-amine (CID 82413277) is 3-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-amine.
What is the SMILES notation for 3-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-amine?
The canonical SMILES for 3-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-amine is COCc1nnc2n1CC(N)C2.
What is the InChIKey of 3-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-amine?
The InChIKey is ORDFXSYEZDIVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-12-4-7-10-9-6-2-5(8)3-11(6)7/h5H,2-4,8H2,1H3.
What are the key properties of 3-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-amine?
3-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-amine has a molecular weight of 168.20 g/mol, XLogP of -0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-amine is sourced from PubChem (CID 82413277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).