1-(3-methoxy-2-methylpropyl)tetrazol-5-amine

C6H13N5O — CID 79505930

IUPAC1-(3-methoxy-2-methylpropyl)tetrazol-5-amine
SMILESCOCC(C)Cn1nnnc1N
InChIInChI=1S/C6H13N5O/c1-5(4-12-2)3-11-6(7)8-9-10-11/h5H,3-4H2,1-2H3,(H2,7,8,10)
InChIKeyYWTAPSBZLSRJPI-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.46
Rot. Bonds4

About 1-(3-methoxy-2-methylpropyl)tetrazol-5-amine

1-(3-methoxy-2-methylpropyl)tetrazol-5-amine (PubChem CID 79505930) has the molecular formula C6H13N5O and a molecular weight of 171.20 g/mol. Its IUPAC name is 1-(3-methoxy-2-methylpropyl)tetrazol-5-amine.

Molecular Properties

Compound Name1-(3-methoxy-2-methylpropyl)tetrazol-5-amine
PubChem CID79505930
Molecular FormulaC6H13N5O
Molecular Weight171.20 g/mol
Exact Mass171.11
IUPAC Name1-(3-methoxy-2-methylpropyl)tetrazol-5-amine
SMILESCOCC(C)Cn1nnnc1N
InChIInChI=1S/C6H13N5O/c1-5(4-12-2)3-11-6(7)8-9-10-11/h5H,3-4H2,1-2H3,(H2,7,8,10)
InChIKeyYWTAPSBZLSRJPI-UHFFFAOYSA-N
XLogP-0.46
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-2-methylpropyl)tetrazol-5-amine?
The IUPAC name of 1-(3-methoxy-2-methylpropyl)tetrazol-5-amine (CID 79505930) is 1-(3-methoxy-2-methylpropyl)tetrazol-5-amine.
What is the SMILES notation for 1-(3-methoxy-2-methylpropyl)tetrazol-5-amine?
The canonical SMILES for 1-(3-methoxy-2-methylpropyl)tetrazol-5-amine is COCC(C)Cn1nnnc1N.
What is the InChIKey of 1-(3-methoxy-2-methylpropyl)tetrazol-5-amine?
The InChIKey is YWTAPSBZLSRJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N5O/c1-5(4-12-2)3-11-6(7)8-9-10-11/h5H,3-4H2,1-2H3,(H2,7,8,10).
What are the key properties of 1-(3-methoxy-2-methylpropyl)tetrazol-5-amine?
1-(3-methoxy-2-methylpropyl)tetrazol-5-amine has a molecular weight of 171.20 g/mol, XLogP of -0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-2-methylpropyl)tetrazol-5-amine is sourced from PubChem (CID 79505930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).