4-(1-methyltetrazol-5-yl)morpholine-2-carbonitrile

C7H10N6O — CID 78950126

IUPAC4-(1-methyltetrazol-5-yl)morpholine-2-carbonitrile
SMILESCn1nnnc1N1CCOC(C#N)C1
InChIInChI=1S/C7H10N6O/c1-12-7(9-10-11-12)13-2-3-14-6(4-8)5-13/h6H,2-3,5H2,1H3
InChIKeySTOJFTFVOAAGRN-UHFFFAOYSA-N
MW194.20 g/mol
LogP-1.06
Rot. Bonds1

About 4-(1-methyltetrazol-5-yl)morpholine-2-carbonitrile

4-(1-methyltetrazol-5-yl)morpholine-2-carbonitrile (PubChem CID 78950126) has the molecular formula C7H10N6O and a molecular weight of 194.20 g/mol. Its IUPAC name is 4-(1-methyltetrazol-5-yl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(1-methyltetrazol-5-yl)morpholine-2-carbonitrile
PubChem CID78950126
Molecular FormulaC7H10N6O
Molecular Weight194.20 g/mol
Exact Mass194.09
IUPAC Name4-(1-methyltetrazol-5-yl)morpholine-2-carbonitrile
SMILESCn1nnnc1N1CCOC(C#N)C1
InChIInChI=1S/C7H10N6O/c1-12-7(9-10-11-12)13-2-3-14-6(4-8)5-13/h6H,2-3,5H2,1H3
InChIKeySTOJFTFVOAAGRN-UHFFFAOYSA-N
XLogP-1.06
TPSA79.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 5-1.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methyltetrazol-5-yl)morpholine-2-carbonitrile?
The IUPAC name of 4-(1-methyltetrazol-5-yl)morpholine-2-carbonitrile (CID 78950126) is 4-(1-methyltetrazol-5-yl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(1-methyltetrazol-5-yl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(1-methyltetrazol-5-yl)morpholine-2-carbonitrile is Cn1nnnc1N1CCOC(C#N)C1.
What is the InChIKey of 4-(1-methyltetrazol-5-yl)morpholine-2-carbonitrile?
The InChIKey is STOJFTFVOAAGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6O/c1-12-7(9-10-11-12)13-2-3-14-6(4-8)5-13/h6H,2-3,5H2,1H3.
What are the key properties of 4-(1-methyltetrazol-5-yl)morpholine-2-carbonitrile?
4-(1-methyltetrazol-5-yl)morpholine-2-carbonitrile has a molecular weight of 194.20 g/mol, XLogP of -1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyltetrazol-5-yl)morpholine-2-carbonitrile is sourced from PubChem (CID 78950126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).