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

C4H9N5 — CID 94349280

IUPAC(2S)-1-(2H-tetrazol-5-yl)propan-2-amine
SMILESC[C@H](N)Cc1nn[nH]n1
InChIInChI=1S/C4H9N5/c1-3(5)2-4-6-8-9-7-4/h3H,2,5H2,1H3,(H,6,7,8,9)/t3-/m0/s1
InChIKeyAQORIANGFJTCON-VKHMYHEASA-N
MW127.15 g/mol
LogP-0.91
Rot. Bonds2

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

(2S)-1-(2H-tetrazol-5-yl)propan-2-amine (PubChem CID 94349280) has the molecular formula C4H9N5 and a molecular weight of 127.15 g/mol. Its IUPAC name is (2S)-1-(2H-tetrazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(2H-tetrazol-5-yl)propan-2-amine
PubChem CID94349280
Molecular FormulaC4H9N5
Molecular Weight127.15 g/mol
Exact Mass127.09
IUPAC Name(2S)-1-(2H-tetrazol-5-yl)propan-2-amine
SMILESC[C@H](N)Cc1nn[nH]n1
InChIInChI=1S/C4H9N5/c1-3(5)2-4-6-8-9-7-4/h3H,2,5H2,1H3,(H,6,7,8,9)/t3-/m0/s1
InChIKeyAQORIANGFJTCON-VKHMYHEASA-N
XLogP-0.91
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 ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2H-tetrazol-5-yl)propan-2-amine?
The IUPAC name of (2S)-1-(2H-tetrazol-5-yl)propan-2-amine (CID 94349280) is (2S)-1-(2H-tetrazol-5-yl)propan-2-amine.
What is the SMILES notation for (2S)-1-(2H-tetrazol-5-yl)propan-2-amine?
The canonical SMILES for (2S)-1-(2H-tetrazol-5-yl)propan-2-amine is C[C@H](N)Cc1nn[nH]n1.
What is the InChIKey of (2S)-1-(2H-tetrazol-5-yl)propan-2-amine?
The InChIKey is AQORIANGFJTCON-VKHMYHEASA-N. The full InChI is InChI=1S/C4H9N5/c1-3(5)2-4-6-8-9-7-4/h3H,2,5H2,1H3,(H,6,7,8,9)/t3-/m0/s1.
What are the key properties of (2S)-1-(2H-tetrazol-5-yl)propan-2-amine?
(2S)-1-(2H-tetrazol-5-yl)propan-2-amine has a molecular weight of 127.15 g/mol, XLogP of -0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2H-tetrazol-5-yl)propan-2-amine is sourced from PubChem (CID 94349280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).