2-(1-methyltriazol-4-yl)oxolan-3-amine

C7H12N4O — CID 126797045

IUPAC2-(1-methyltriazol-4-yl)oxolan-3-amine
SMILESCn1cc(C2OCCC2N)nn1
InChIInChI=1S/C7H12N4O/c1-11-4-6(9-10-11)7-5(8)2-3-12-7/h4-5,7H,2-3,8H2,1H3
InChIKeySKRFVRUPUURBDA-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.40
Rot. Bonds1

About 2-(1-methyltriazol-4-yl)oxolan-3-amine

2-(1-methyltriazol-4-yl)oxolan-3-amine (PubChem CID 126797045) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-(1-methyltriazol-4-yl)oxolan-3-amine.

Molecular Properties

Compound Name2-(1-methyltriazol-4-yl)oxolan-3-amine
PubChem CID126797045
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name2-(1-methyltriazol-4-yl)oxolan-3-amine
SMILESCn1cc(C2OCCC2N)nn1
InChIInChI=1S/C7H12N4O/c1-11-4-6(9-10-11)7-5(8)2-3-12-7/h4-5,7H,2-3,8H2,1H3
InChIKeySKRFVRUPUURBDA-UHFFFAOYSA-N
XLogP-0.40
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltriazol-4-yl)oxolan-3-amine?
The IUPAC name of 2-(1-methyltriazol-4-yl)oxolan-3-amine (CID 126797045) is 2-(1-methyltriazol-4-yl)oxolan-3-amine.
What is the SMILES notation for 2-(1-methyltriazol-4-yl)oxolan-3-amine?
The canonical SMILES for 2-(1-methyltriazol-4-yl)oxolan-3-amine is Cn1cc(C2OCCC2N)nn1.
What is the InChIKey of 2-(1-methyltriazol-4-yl)oxolan-3-amine?
The InChIKey is SKRFVRUPUURBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-11-4-6(9-10-11)7-5(8)2-3-12-7/h4-5,7H,2-3,8H2,1H3.
What are the key properties of 2-(1-methyltriazol-4-yl)oxolan-3-amine?
2-(1-methyltriazol-4-yl)oxolan-3-amine has a molecular weight of 168.20 g/mol, XLogP of -0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltriazol-4-yl)oxolan-3-amine is sourced from PubChem (CID 126797045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).