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

C4H9N5 — CID 62653688

IUPAC2-(2H-tetrazol-5-yl)propan-1-amine
SMILESCC(CN)c1nn[nH]n1
InChIInChI=1S/C4H9N5/c1-3(2-5)4-6-8-9-7-4/h3H,2,5H2,1H3,(H,6,7,8,9)
InChIKeyBNHJTBXWWVPJLU-UHFFFAOYSA-N
MW127.15 g/mol
LogP-0.74
Rot. Bonds2

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

2-(2H-tetrazol-5-yl)propan-1-amine (PubChem CID 62653688) has the molecular formula C4H9N5 and a molecular weight of 127.15 g/mol. Its IUPAC name is 2-(2H-tetrazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name2-(2H-tetrazol-5-yl)propan-1-amine
PubChem CID62653688
Molecular FormulaC4H9N5
Molecular Weight127.15 g/mol
Exact Mass127.09
IUPAC Name2-(2H-tetrazol-5-yl)propan-1-amine
SMILESCC(CN)c1nn[nH]n1
InChIInChI=1S/C4H9N5/c1-3(2-5)4-6-8-9-7-4/h3H,2,5H2,1H3,(H,6,7,8,9)
InChIKeyBNHJTBXWWVPJLU-UHFFFAOYSA-N
XLogP-0.74
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 ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2H-tetrazol-5-yl)propan-1-amine?
The IUPAC name of 2-(2H-tetrazol-5-yl)propan-1-amine (CID 62653688) is 2-(2H-tetrazol-5-yl)propan-1-amine.
What is the SMILES notation for 2-(2H-tetrazol-5-yl)propan-1-amine?
The canonical SMILES for 2-(2H-tetrazol-5-yl)propan-1-amine is CC(CN)c1nn[nH]n1.
What is the InChIKey of 2-(2H-tetrazol-5-yl)propan-1-amine?
The InChIKey is BNHJTBXWWVPJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N5/c1-3(2-5)4-6-8-9-7-4/h3H,2,5H2,1H3,(H,6,7,8,9).
What are the key properties of 2-(2H-tetrazol-5-yl)propan-1-amine?
2-(2H-tetrazol-5-yl)propan-1-amine has a molecular weight of 127.15 g/mol, XLogP of -0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-tetrazol-5-yl)propan-1-amine is sourced from PubChem (CID 62653688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).