1-methyl-N-prop-2-enyltetrazol-5-amine

C5H9N5 — CID 54595140

IUPAC1-methyl-N-prop-2-enyltetrazol-5-amine
SMILESC=CCNc1nnnn1C
InChIInChI=1S/C5H9N5/c1-3-4-6-5-7-8-9-10(5)2/h3H,1,4H2,2H3,(H,6,7,9)
InChIKeyMMOKOESRYNQMIO-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.19
Rot. Bonds3

About 1-methyl-N-prop-2-enyltetrazol-5-amine

1-methyl-N-prop-2-enyltetrazol-5-amine (PubChem CID 54595140) has the molecular formula C5H9N5 and a molecular weight of 139.16 g/mol. Its IUPAC name is 1-methyl-N-prop-2-enyltetrazol-5-amine.

Molecular Properties

Compound Name1-methyl-N-prop-2-enyltetrazol-5-amine
PubChem CID54595140
Molecular FormulaC5H9N5
Molecular Weight139.16 g/mol
Exact Mass139.09
IUPAC Name1-methyl-N-prop-2-enyltetrazol-5-amine
SMILESC=CCNc1nnnn1C
InChIInChI=1S/C5H9N5/c1-3-4-6-5-7-8-9-10(5)2/h3H,1,4H2,2H3,(H,6,7,9)
InChIKeyMMOKOESRYNQMIO-UHFFFAOYSA-N
XLogP-0.19
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-prop-2-enyltetrazol-5-amine?
The IUPAC name of 1-methyl-N-prop-2-enyltetrazol-5-amine (CID 54595140) is 1-methyl-N-prop-2-enyltetrazol-5-amine.
What is the SMILES notation for 1-methyl-N-prop-2-enyltetrazol-5-amine?
The canonical SMILES for 1-methyl-N-prop-2-enyltetrazol-5-amine is C=CCNc1nnnn1C.
What is the InChIKey of 1-methyl-N-prop-2-enyltetrazol-5-amine?
The InChIKey is MMOKOESRYNQMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5/c1-3-4-6-5-7-8-9-10(5)2/h3H,1,4H2,2H3,(H,6,7,9).
What are the key properties of 1-methyl-N-prop-2-enyltetrazol-5-amine?
1-methyl-N-prop-2-enyltetrazol-5-amine has a molecular weight of 139.16 g/mol, XLogP of -0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-prop-2-enyltetrazol-5-amine is sourced from PubChem (CID 54595140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).