3,5-bis(methoxymethyl)-1,2,4-triazol-4-amine

C6H12N4O2 — CID 2756734

IUPAC3,5-bis(methoxymethyl)-1,2,4-triazol-4-amine
SMILESCOCc1nnc(COC)n1N
InChIInChI=1S/C6H12N4O2/c1-11-3-5-8-9-6(4-12-2)10(5)7/h3-4,7H2,1-2H3
InChIKeyQMTIGFLCQANSAT-UHFFFAOYSA-N
MW172.19 g/mol
LogP-0.72
Rot. Bonds4

About 3,5-bis(methoxymethyl)-1,2,4-triazol-4-amine

3,5-bis(methoxymethyl)-1,2,4-triazol-4-amine (PubChem CID 2756734) has the molecular formula C6H12N4O2 and a molecular weight of 172.19 g/mol. Its IUPAC name is 3,5-bis(methoxymethyl)-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3,5-bis(methoxymethyl)-1,2,4-triazol-4-amine
PubChem CID2756734
Molecular FormulaC6H12N4O2
Molecular Weight172.19 g/mol
Exact Mass172.10
IUPAC Name3,5-bis(methoxymethyl)-1,2,4-triazol-4-amine
SMILESCOCc1nnc(COC)n1N
InChIInChI=1S/C6H12N4O2/c1-11-3-5-8-9-6(4-12-2)10(5)7/h3-4,7H2,1-2H3
InChIKeyQMTIGFLCQANSAT-UHFFFAOYSA-N
XLogP-0.72
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(methoxymethyl)-1,2,4-triazol-4-amine?
The IUPAC name of 3,5-bis(methoxymethyl)-1,2,4-triazol-4-amine (CID 2756734) is 3,5-bis(methoxymethyl)-1,2,4-triazol-4-amine.
What is the SMILES notation for 3,5-bis(methoxymethyl)-1,2,4-triazol-4-amine?
The canonical SMILES for 3,5-bis(methoxymethyl)-1,2,4-triazol-4-amine is COCc1nnc(COC)n1N.
What is the InChIKey of 3,5-bis(methoxymethyl)-1,2,4-triazol-4-amine?
The InChIKey is QMTIGFLCQANSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O2/c1-11-3-5-8-9-6(4-12-2)10(5)7/h3-4,7H2,1-2H3.
What are the key properties of 3,5-bis(methoxymethyl)-1,2,4-triazol-4-amine?
3,5-bis(methoxymethyl)-1,2,4-triazol-4-amine has a molecular weight of 172.19 g/mol, XLogP of -0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(methoxymethyl)-1,2,4-triazol-4-amine is sourced from PubChem (CID 2756734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).