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

C4H11N7 — CID 72950776

IUPAC3-[amino(2H-tetrazol-5-yl)amino]propan-1-amine
SMILESNCCCN(N)c1nn[nH]n1
InChIInChI=1S/C4H11N7/c5-2-1-3-11(6)4-7-9-10-8-4/h1-3,5-6H2,(H,7,8,9,10)
InChIKeyICJLZBUAFQCUQB-UHFFFAOYSA-N
MW157.18 g/mol
LogP-1.77
Rot. Bonds4

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

3-[amino(2H-tetrazol-5-yl)amino]propan-1-amine (PubChem CID 72950776) has the molecular formula C4H11N7 and a molecular weight of 157.18 g/mol. Its IUPAC name is 3-[amino(2H-tetrazol-5-yl)amino]propan-1-amine.

Molecular Properties

Compound Name3-[amino(2H-tetrazol-5-yl)amino]propan-1-amine
PubChem CID72950776
Molecular FormulaC4H11N7
Molecular Weight157.18 g/mol
Exact Mass157.11
IUPAC Name3-[amino(2H-tetrazol-5-yl)amino]propan-1-amine
SMILESNCCCN(N)c1nn[nH]n1
InChIInChI=1S/C4H11N7/c5-2-1-3-11(6)4-7-9-10-8-4/h1-3,5-6H2,(H,7,8,9,10)
InChIKeyICJLZBUAFQCUQB-UHFFFAOYSA-N
XLogP-1.77
TPSA109.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.18
LogP ≤ 5-1.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[amino(2H-tetrazol-5-yl)amino]propan-1-amine?
The IUPAC name of 3-[amino(2H-tetrazol-5-yl)amino]propan-1-amine (CID 72950776) is 3-[amino(2H-tetrazol-5-yl)amino]propan-1-amine.
What is the SMILES notation for 3-[amino(2H-tetrazol-5-yl)amino]propan-1-amine?
The canonical SMILES for 3-[amino(2H-tetrazol-5-yl)amino]propan-1-amine is NCCCN(N)c1nn[nH]n1.
What is the InChIKey of 3-[amino(2H-tetrazol-5-yl)amino]propan-1-amine?
The InChIKey is ICJLZBUAFQCUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N7/c5-2-1-3-11(6)4-7-9-10-8-4/h1-3,5-6H2,(H,7,8,9,10).
What are the key properties of 3-[amino(2H-tetrazol-5-yl)amino]propan-1-amine?
3-[amino(2H-tetrazol-5-yl)amino]propan-1-amine has a molecular weight of 157.18 g/mol, XLogP of -1.77, 4 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]propan-1-amine is sourced from PubChem (CID 72950776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).