5-(methoxymethyl)-1-methyltriazole-4-carbonitrile

C6H8N4O — CID 82207816

IUPAC5-(methoxymethyl)-1-methyltriazole-4-carbonitrile
SMILESCOCc1c(C#N)nnn1C
InChIInChI=1S/C6H8N4O/c1-10-6(4-11-2)5(3-7)8-9-10/h4H2,1-2H3
InChIKeyCMTIXGDENPRJIN-UHFFFAOYSA-N
MW152.16 g/mol
LogP-0.17
Rot. Bonds2

About 5-(methoxymethyl)-1-methyltriazole-4-carbonitrile

5-(methoxymethyl)-1-methyltriazole-4-carbonitrile (PubChem CID 82207816) has the molecular formula C6H8N4O and a molecular weight of 152.16 g/mol. Its IUPAC name is 5-(methoxymethyl)-1-methyltriazole-4-carbonitrile.

Molecular Properties

Compound Name5-(methoxymethyl)-1-methyltriazole-4-carbonitrile
PubChem CID82207816
Molecular FormulaC6H8N4O
Molecular Weight152.16 g/mol
Exact Mass152.07
IUPAC Name5-(methoxymethyl)-1-methyltriazole-4-carbonitrile
SMILESCOCc1c(C#N)nnn1C
InChIInChI=1S/C6H8N4O/c1-10-6(4-11-2)5(3-7)8-9-10/h4H2,1-2H3
InChIKeyCMTIXGDENPRJIN-UHFFFAOYSA-N
XLogP-0.17
TPSA63.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-1-methyltriazole-4-carbonitrile?
The IUPAC name of 5-(methoxymethyl)-1-methyltriazole-4-carbonitrile (CID 82207816) is 5-(methoxymethyl)-1-methyltriazole-4-carbonitrile.
What is the SMILES notation for 5-(methoxymethyl)-1-methyltriazole-4-carbonitrile?
The canonical SMILES for 5-(methoxymethyl)-1-methyltriazole-4-carbonitrile is COCc1c(C#N)nnn1C.
What is the InChIKey of 5-(methoxymethyl)-1-methyltriazole-4-carbonitrile?
The InChIKey is CMTIXGDENPRJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O/c1-10-6(4-11-2)5(3-7)8-9-10/h4H2,1-2H3.
What are the key properties of 5-(methoxymethyl)-1-methyltriazole-4-carbonitrile?
5-(methoxymethyl)-1-methyltriazole-4-carbonitrile has a molecular weight of 152.16 g/mol, XLogP of -0.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-1-methyltriazole-4-carbonitrile is sourced from PubChem (CID 82207816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).