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

C4H10ClN5 — CID 75419115

IUPAC2-(2H-tetrazol-5-yl)propan-1-amine;hydrochloride
SMILESCC(CN)c1nn[nH]n1.Cl
InChIInChI=1S/C4H9N5.ClH/c1-3(2-5)4-6-8-9-7-4;/h3H,2,5H2,1H3,(H,6,7,8,9);1H
InChIKeyPITAPVWXZZITIT-UHFFFAOYSA-N
MW163.61 g/mol
LogP-0.32
Rot. Bonds2

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

2-(2H-tetrazol-5-yl)propan-1-amine;hydrochloride (PubChem CID 75419115) has the molecular formula C4H10ClN5 and a molecular weight of 163.61 g/mol. Its IUPAC name is 2-(2H-tetrazol-5-yl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-(2H-tetrazol-5-yl)propan-1-amine;hydrochloride
PubChem CID75419115
Molecular FormulaC4H10ClN5
Molecular Weight163.61 g/mol
Exact Mass163.06
IUPAC Name2-(2H-tetrazol-5-yl)propan-1-amine;hydrochloride
SMILESCC(CN)c1nn[nH]n1.Cl
InChIInChI=1S/C4H9N5.ClH/c1-3(2-5)4-6-8-9-7-4;/h3H,2,5H2,1H3,(H,6,7,8,9);1H
InChIKeyPITAPVWXZZITIT-UHFFFAOYSA-N
XLogP-0.32
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.61
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-(2H-tetrazol-5-yl)butan-1-amine
CID 10241030
4-methyl-2-(1H-tetrazol-5-yl)-pentylamine
CID 10241215
5-(propan-2-yl)-1H-1,2,3,4-tetrazole
CID 223442
2-methyl-1-(2H-1,2,3,4-tetrazol-5-yl)propan-1-amine
CID 4639256
3-Aminopropyl-5-tetrazole
CID 194013
2-methyl-2-(1H-1,2,3,4-tetrazol-5-yl)propan-1-amine
CID 10057585
2-(1H-tetrazol-5-yl)ethanamine
CID 14772412
2-(1H-1,2,3,4-tetrazol-5-yl)ethan-1-amine hydrochloride
CID 19938442
5-(azetidin-3-yl)-1H-1,2,3,4-tetrazole hydrochloride
CID 67092019
3-(1H-1,2,3,4-tetrazol-5-yl)propan-1-amine hydrochloride
CID 68476498
(2S)-1-(1H-1,2,3,4-tetrazol-5-yl)propan-2-amine
CID 94349280
methyl(2-(2H-1,2,3,4-tetrazol-5-yl)ethyl)amine dihydrochloride
CID 54594509

Frequently Asked Questions

What is the IUPAC name of 2-(2H-tetrazol-5-yl)propan-1-amine;hydrochloride?
The IUPAC name of 2-(2H-tetrazol-5-yl)propan-1-amine;hydrochloride (CID 75419115) is 2-(2H-tetrazol-5-yl)propan-1-amine;hydrochloride.
What is the SMILES notation for 2-(2H-tetrazol-5-yl)propan-1-amine;hydrochloride?
The canonical SMILES for 2-(2H-tetrazol-5-yl)propan-1-amine;hydrochloride is CC(CN)c1nn[nH]n1.Cl.
What is the InChIKey of 2-(2H-tetrazol-5-yl)propan-1-amine;hydrochloride?
The InChIKey is PITAPVWXZZITIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N5.ClH/c1-3(2-5)4-6-8-9-7-4;/h3H,2,5H2,1H3,(H,6,7,8,9);1H.
What are the key properties of 2-(2H-tetrazol-5-yl)propan-1-amine;hydrochloride?
2-(2H-tetrazol-5-yl)propan-1-amine;hydrochloride has a molecular weight of 163.61 g/mol, XLogP of -0.32, 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;hydrochloride is sourced from PubChem (CID 75419115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).