[1-(oxolan-3-yl)triazol-4-yl]methanamine

C7H12N4O — CID 63563641

IUPAC[1-(oxolan-3-yl)triazol-4-yl]methanamine
SMILESNCc1cn(C2CCOC2)nn1
InChIInChI=1S/C7H12N4O/c8-3-6-4-11(10-9-6)7-1-2-12-5-7/h4,7H,1-3,5,8H2
InChIKeyGWXAEVMGAKGDCZ-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.30
Rot. Bonds2

About [1-(oxolan-3-yl)triazol-4-yl]methanamine

[1-(oxolan-3-yl)triazol-4-yl]methanamine (PubChem CID 63563641) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is [1-(oxolan-3-yl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(oxolan-3-yl)triazol-4-yl]methanamine
PubChem CID63563641
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name[1-(oxolan-3-yl)triazol-4-yl]methanamine
SMILESNCc1cn(C2CCOC2)nn1
InChIInChI=1S/C7H12N4O/c8-3-6-4-11(10-9-6)7-1-2-12-5-7/h4,7H,1-3,5,8H2
InChIKeyGWXAEVMGAKGDCZ-UHFFFAOYSA-N
XLogP-0.30
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 ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(oxolan-3-yl)triazol-4-yl]methanamine?
The IUPAC name of [1-(oxolan-3-yl)triazol-4-yl]methanamine (CID 63563641) is [1-(oxolan-3-yl)triazol-4-yl]methanamine.
What is the SMILES notation for [1-(oxolan-3-yl)triazol-4-yl]methanamine?
The canonical SMILES for [1-(oxolan-3-yl)triazol-4-yl]methanamine is NCc1cn(C2CCOC2)nn1.
What is the InChIKey of [1-(oxolan-3-yl)triazol-4-yl]methanamine?
The InChIKey is GWXAEVMGAKGDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c8-3-6-4-11(10-9-6)7-1-2-12-5-7/h4,7H,1-3,5,8H2.
What are the key properties of [1-(oxolan-3-yl)triazol-4-yl]methanamine?
[1-(oxolan-3-yl)triazol-4-yl]methanamine has a molecular weight of 168.20 g/mol, XLogP of -0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(oxolan-3-yl)triazol-4-yl]methanamine is sourced from PubChem (CID 63563641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).