1-methyl-N-(1,2-oxazol-3-ylmethyl)tetrazol-5-amine

C6H8N6O — CID 79493003

IUPAC1-methyl-N-(1,2-oxazol-3-ylmethyl)tetrazol-5-amine
SMILESCn1nnnc1NCc1ccon1
InChIInChI=1S/C6H8N6O/c1-12-6(8-10-11-12)7-4-5-2-3-13-9-5/h2-3H,4H2,1H3,(H,7,8,11)
InChIKeyAFFVXCYUALBYCO-UHFFFAOYSA-N
MW180.17 g/mol
LogP-0.19
Rot. Bonds3

About 1-methyl-N-(1,2-oxazol-3-ylmethyl)tetrazol-5-amine

1-methyl-N-(1,2-oxazol-3-ylmethyl)tetrazol-5-amine (PubChem CID 79493003) has the molecular formula C6H8N6O and a molecular weight of 180.17 g/mol. Its IUPAC name is 1-methyl-N-(1,2-oxazol-3-ylmethyl)tetrazol-5-amine.

Molecular Properties

Compound Name1-methyl-N-(1,2-oxazol-3-ylmethyl)tetrazol-5-amine
PubChem CID79493003
Molecular FormulaC6H8N6O
Molecular Weight180.17 g/mol
Exact Mass180.08
IUPAC Name1-methyl-N-(1,2-oxazol-3-ylmethyl)tetrazol-5-amine
SMILESCn1nnnc1NCc1ccon1
InChIInChI=1S/C6H8N6O/c1-12-6(8-10-11-12)7-4-5-2-3-13-9-5/h2-3H,4H2,1H3,(H,7,8,11)
InChIKeyAFFVXCYUALBYCO-UHFFFAOYSA-N
XLogP-0.19
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1,2-oxazol-3-ylmethyl)tetrazol-5-amine?
The IUPAC name of 1-methyl-N-(1,2-oxazol-3-ylmethyl)tetrazol-5-amine (CID 79493003) is 1-methyl-N-(1,2-oxazol-3-ylmethyl)tetrazol-5-amine.
What is the SMILES notation for 1-methyl-N-(1,2-oxazol-3-ylmethyl)tetrazol-5-amine?
The canonical SMILES for 1-methyl-N-(1,2-oxazol-3-ylmethyl)tetrazol-5-amine is Cn1nnnc1NCc1ccon1.
What is the InChIKey of 1-methyl-N-(1,2-oxazol-3-ylmethyl)tetrazol-5-amine?
The InChIKey is AFFVXCYUALBYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6O/c1-12-6(8-10-11-12)7-4-5-2-3-13-9-5/h2-3H,4H2,1H3,(H,7,8,11).
What are the key properties of 1-methyl-N-(1,2-oxazol-3-ylmethyl)tetrazol-5-amine?
1-methyl-N-(1,2-oxazol-3-ylmethyl)tetrazol-5-amine has a molecular weight of 180.17 g/mol, XLogP of -0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1,2-oxazol-3-ylmethyl)tetrazol-5-amine is sourced from PubChem (CID 79493003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).