3-[amino(2H-tetrazol-5-yl)amino]-N-methylpropan-1-amine

C5H13N7 — CID 72950780

IUPAC3-[amino(2H-tetrazol-5-yl)amino]-N-methylpropan-1-amine
SMILESCNCCCN(N)c1nn[nH]n1
InChIInChI=1S/C5H13N7/c1-7-3-2-4-12(6)5-8-10-11-9-5/h7H,2-4,6H2,1H3,(H,8,9,10,11)
InChIKeyNIOAZQMJTNGOTO-UHFFFAOYSA-N
MW171.21 g/mol
LogP-1.51
Rot. Bonds5

About 3-[amino(2H-tetrazol-5-yl)amino]-N-methylpropan-1-amine

3-[amino(2H-tetrazol-5-yl)amino]-N-methylpropan-1-amine (PubChem CID 72950780) has the molecular formula C5H13N7 and a molecular weight of 171.21 g/mol. Its IUPAC name is 3-[amino(2H-tetrazol-5-yl)amino]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[amino(2H-tetrazol-5-yl)amino]-N-methylpropan-1-amine
PubChem CID72950780
Molecular FormulaC5H13N7
Molecular Weight171.21 g/mol
Exact Mass171.12
IUPAC Name3-[amino(2H-tetrazol-5-yl)amino]-N-methylpropan-1-amine
SMILESCNCCCN(N)c1nn[nH]n1
InChIInChI=1S/C5H13N7/c1-7-3-2-4-12(6)5-8-10-11-9-5/h7H,2-4,6H2,1H3,(H,8,9,10,11)
InChIKeyNIOAZQMJTNGOTO-UHFFFAOYSA-N
XLogP-1.51
TPSA95.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.21
LogP ≤ 5-1.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[amino(2H-tetrazol-5-yl)amino]-N-methylpropan-1-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 3-[amino(2H-tetrazol-5-yl)amino]-N-methylpropan-1-amine?
The IUPAC name of 3-[amino(2H-tetrazol-5-yl)amino]-N-methylpropan-1-amine (CID 72950780) is 3-[amino(2H-tetrazol-5-yl)amino]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[amino(2H-tetrazol-5-yl)amino]-N-methylpropan-1-amine?
The canonical SMILES for 3-[amino(2H-tetrazol-5-yl)amino]-N-methylpropan-1-amine is CNCCCN(N)c1nn[nH]n1.
What is the InChIKey of 3-[amino(2H-tetrazol-5-yl)amino]-N-methylpropan-1-amine?
The InChIKey is NIOAZQMJTNGOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N7/c1-7-3-2-4-12(6)5-8-10-11-9-5/h7H,2-4,6H2,1H3,(H,8,9,10,11).
What are the key properties of 3-[amino(2H-tetrazol-5-yl)amino]-N-methylpropan-1-amine?
3-[amino(2H-tetrazol-5-yl)amino]-N-methylpropan-1-amine has a molecular weight of 171.21 g/mol, XLogP of -1.51, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino(2H-tetrazol-5-yl)amino]-N-methylpropan-1-amine is sourced from PubChem (CID 72950780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).