1-(2H-tetrazol-5-yl)propan-1-amine

C4H9N5 — CID 566608

IUPAC1-(2H-tetrazol-5-yl)propan-1-amine
SMILESCCC(N)c1nn[nH]n1
InChIInChI=1S/C4H9N5/c1-2-3(5)4-6-8-9-7-4/h3H,2,5H2,1H3,(H,6,7,8,9)
InChIKeyDOFDXNNXHHZWCT-UHFFFAOYSA-N
MW127.15 g/mol
LogP-0.39
Rot. Bonds2

About 1-(2H-tetrazol-5-yl)propan-1-amine

1-(2H-tetrazol-5-yl)propan-1-amine (PubChem CID 566608) has the molecular formula C4H9N5 and a molecular weight of 127.15 g/mol. Its IUPAC name is 1-(2H-tetrazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name1-(2H-tetrazol-5-yl)propan-1-amine
PubChem CID566608
Molecular FormulaC4H9N5
Molecular Weight127.15 g/mol
Exact Mass127.09
IUPAC Name1-(2H-tetrazol-5-yl)propan-1-amine
SMILESCCC(N)c1nn[nH]n1
InChIInChI=1S/C4H9N5/c1-2-3(5)4-6-8-9-7-4/h3H,2,5H2,1H3,(H,6,7,8,9)
InChIKeyDOFDXNNXHHZWCT-UHFFFAOYSA-N
XLogP-0.39
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2H-tetrazol-5-yl)propan-1-amine?
The IUPAC name of 1-(2H-tetrazol-5-yl)propan-1-amine (CID 566608) is 1-(2H-tetrazol-5-yl)propan-1-amine.
What is the SMILES notation for 1-(2H-tetrazol-5-yl)propan-1-amine?
The canonical SMILES for 1-(2H-tetrazol-5-yl)propan-1-amine is CCC(N)c1nn[nH]n1.
What is the InChIKey of 1-(2H-tetrazol-5-yl)propan-1-amine?
The InChIKey is DOFDXNNXHHZWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N5/c1-2-3(5)4-6-8-9-7-4/h3H,2,5H2,1H3,(H,6,7,8,9).
What are the key properties of 1-(2H-tetrazol-5-yl)propan-1-amine?
1-(2H-tetrazol-5-yl)propan-1-amine has a molecular weight of 127.15 g/mol, XLogP of -0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-tetrazol-5-yl)propan-1-amine is sourced from PubChem (CID 566608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).