3-amino-3-(2-propan-2-yltetrazol-5-yl)propan-1-ol

C7H15N5O — CID 84660178

IUPAC3-amino-3-(2-propan-2-yltetrazol-5-yl)propan-1-ol
SMILESCC(C)n1nnc(C(N)CCO)n1
InChIInChI=1S/C7H15N5O/c1-5(2)12-10-7(9-11-12)6(8)3-4-13/h5-6,13H,3-4,8H2,1-2H3
InChIKeyDBBGIFAOXUUDEB-UHFFFAOYSA-N
MW185.23 g/mol
LogP-0.36
Rot. Bonds4

About 3-amino-3-(2-propan-2-yltetrazol-5-yl)propan-1-ol

3-amino-3-(2-propan-2-yltetrazol-5-yl)propan-1-ol (PubChem CID 84660178) has the molecular formula C7H15N5O and a molecular weight of 185.23 g/mol. Its IUPAC name is 3-amino-3-(2-propan-2-yltetrazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-(2-propan-2-yltetrazol-5-yl)propan-1-ol
PubChem CID84660178
Molecular FormulaC7H15N5O
Molecular Weight185.23 g/mol
Exact Mass185.13
IUPAC Name3-amino-3-(2-propan-2-yltetrazol-5-yl)propan-1-ol
SMILESCC(C)n1nnc(C(N)CCO)n1
InChIInChI=1S/C7H15N5O/c1-5(2)12-10-7(9-11-12)6(8)3-4-13/h5-6,13H,3-4,8H2,1-2H3
InChIKeyDBBGIFAOXUUDEB-UHFFFAOYSA-N
XLogP-0.36
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-1-(2-propan-2-yltetrazol-5-yl)propan-1-ol
CID 84660176
3-amino-1-(2-propan-2-yltetrazol-5-yl)propan-1-ol
CID 84660177
2,5-di(propan-2-yl)tetrazole
CID 21054922
3-(2-propan-2-yltetrazol-5-yl)butanoic acid
CID 84668247
3-amino-3-(1-methyl-5-propan-2-yltriazol-4-yl)propan-1-ol
CID 84774987
2-amino-1-(2-propan-2-yltetrazol-5-yl)ethanone
CID 84653396
3-(2-propan-2-yltetrazol-5-yl)propan-1-amine
CID 84653524
[4-(2-propan-2-yltetrazol-5-yl)phenyl]methanol
CID 84786119
2-amino-1-(2-methyltetrazol-5-yl)propan-1-ol
CID 84650561
3-amino-3-(2,5-dimethylpyrazol-3-yl)propan-1-ol
CID 82598008
3-amino-3-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)propan-1-ol
CID 84666356
2-(2-propan-2-yltetrazol-5-yl)acetonitrile
CID 84763253

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(2-propan-2-yltetrazol-5-yl)propan-1-ol?
The IUPAC name of 3-amino-3-(2-propan-2-yltetrazol-5-yl)propan-1-ol (CID 84660178) is 3-amino-3-(2-propan-2-yltetrazol-5-yl)propan-1-ol.
What is the SMILES notation for 3-amino-3-(2-propan-2-yltetrazol-5-yl)propan-1-ol?
The canonical SMILES for 3-amino-3-(2-propan-2-yltetrazol-5-yl)propan-1-ol is CC(C)n1nnc(C(N)CCO)n1.
What is the InChIKey of 3-amino-3-(2-propan-2-yltetrazol-5-yl)propan-1-ol?
The InChIKey is DBBGIFAOXUUDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5O/c1-5(2)12-10-7(9-11-12)6(8)3-4-13/h5-6,13H,3-4,8H2,1-2H3.
What are the key properties of 3-amino-3-(2-propan-2-yltetrazol-5-yl)propan-1-ol?
3-amino-3-(2-propan-2-yltetrazol-5-yl)propan-1-ol has a molecular weight of 185.23 g/mol, XLogP of -0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(2-propan-2-yltetrazol-5-yl)propan-1-ol is sourced from PubChem (CID 84660178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).