1-[(prop-2-enylamino)methyl]tetrazol-5-amine

C5H10N6 — CID 69454857

IUPAC1-[(prop-2-enylamino)methyl]tetrazol-5-amine
SMILESC=CCNCn1nnnc1N
InChIInChI=1S/C5H10N6/c1-2-3-7-4-11-5(6)8-9-10-11/h2,7H,1,3-4H2,(H2,6,8,10)
InChIKeyDQVZMMXSJIRGHG-UHFFFAOYSA-N
MW154.18 g/mol
LogP-1.01
Rot. Bonds4

About 1-[(prop-2-enylamino)methyl]tetrazol-5-amine

1-[(prop-2-enylamino)methyl]tetrazol-5-amine (PubChem CID 69454857) has the molecular formula C5H10N6 and a molecular weight of 154.18 g/mol. Its IUPAC name is 1-[(prop-2-enylamino)methyl]tetrazol-5-amine.

Molecular Properties

Compound Name1-[(prop-2-enylamino)methyl]tetrazol-5-amine
PubChem CID69454857
Molecular FormulaC5H10N6
Molecular Weight154.18 g/mol
Exact Mass154.10
IUPAC Name1-[(prop-2-enylamino)methyl]tetrazol-5-amine
SMILESC=CCNCn1nnnc1N
InChIInChI=1S/C5H10N6/c1-2-3-7-4-11-5(6)8-9-10-11/h2,7H,1,3-4H2,(H2,6,8,10)
InChIKeyDQVZMMXSJIRGHG-UHFFFAOYSA-N
XLogP-1.01
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.18
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[(prop-2-enylamino)methyl]tetrazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(prop-2-enylamino)methyl]tetrazol-5-amine?
The IUPAC name of 1-[(prop-2-enylamino)methyl]tetrazol-5-amine (CID 69454857) is 1-[(prop-2-enylamino)methyl]tetrazol-5-amine.
What is the SMILES notation for 1-[(prop-2-enylamino)methyl]tetrazol-5-amine?
The canonical SMILES for 1-[(prop-2-enylamino)methyl]tetrazol-5-amine is C=CCNCn1nnnc1N.
What is the InChIKey of 1-[(prop-2-enylamino)methyl]tetrazol-5-amine?
The InChIKey is DQVZMMXSJIRGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N6/c1-2-3-7-4-11-5(6)8-9-10-11/h2,7H,1,3-4H2,(H2,6,8,10).
What are the key properties of 1-[(prop-2-enylamino)methyl]tetrazol-5-amine?
1-[(prop-2-enylamino)methyl]tetrazol-5-amine has a molecular weight of 154.18 g/mol, XLogP of -1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(prop-2-enylamino)methyl]tetrazol-5-amine is sourced from PubChem (CID 69454857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).