2-methyl-3-(2H-tetrazol-5-ylmethylamino)butan-2-ol

C7H15N5O — CID 65337419

IUPAC2-methyl-3-(2H-tetrazol-5-ylmethylamino)butan-2-ol
SMILESCC(NCc1nn[nH]n1)C(C)(C)O
InChIInChI=1S/C7H15N5O/c1-5(7(2,3)13)8-4-6-9-11-12-10-6/h5,8,13H,4H2,1-3H3,(H,9,10,11,12)
InChIKeyFKCGJASBESIRSA-UHFFFAOYSA-N
MW185.23 g/mol
LogP-0.55
Rot. Bonds4

About 2-methyl-3-(2H-tetrazol-5-ylmethylamino)butan-2-ol

2-methyl-3-(2H-tetrazol-5-ylmethylamino)butan-2-ol (PubChem CID 65337419) has the molecular formula C7H15N5O and a molecular weight of 185.23 g/mol. Its IUPAC name is 2-methyl-3-(2H-tetrazol-5-ylmethylamino)butan-2-ol.

Molecular Properties

Compound Name2-methyl-3-(2H-tetrazol-5-ylmethylamino)butan-2-ol
PubChem CID65337419
Molecular FormulaC7H15N5O
Molecular Weight185.23 g/mol
Exact Mass185.13
IUPAC Name2-methyl-3-(2H-tetrazol-5-ylmethylamino)butan-2-ol
SMILESCC(NCc1nn[nH]n1)C(C)(C)O
InChIInChI=1S/C7H15N5O/c1-5(7(2,3)13)8-4-6-9-11-12-10-6/h5,8,13H,4H2,1-3H3,(H,9,10,11,12)
InChIKeyFKCGJASBESIRSA-UHFFFAOYSA-N
XLogP-0.55
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2H-tetrazol-5-ylmethylamino)butan-2-ol?
The IUPAC name of 2-methyl-3-(2H-tetrazol-5-ylmethylamino)butan-2-ol (CID 65337419) is 2-methyl-3-(2H-tetrazol-5-ylmethylamino)butan-2-ol.
What is the SMILES notation for 2-methyl-3-(2H-tetrazol-5-ylmethylamino)butan-2-ol?
The canonical SMILES for 2-methyl-3-(2H-tetrazol-5-ylmethylamino)butan-2-ol is CC(NCc1nn[nH]n1)C(C)(C)O.
What is the InChIKey of 2-methyl-3-(2H-tetrazol-5-ylmethylamino)butan-2-ol?
The InChIKey is FKCGJASBESIRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5O/c1-5(7(2,3)13)8-4-6-9-11-12-10-6/h5,8,13H,4H2,1-3H3,(H,9,10,11,12).
What are the key properties of 2-methyl-3-(2H-tetrazol-5-ylmethylamino)butan-2-ol?
2-methyl-3-(2H-tetrazol-5-ylmethylamino)butan-2-ol has a molecular weight of 185.23 g/mol, XLogP of -0.55, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2H-tetrazol-5-ylmethylamino)butan-2-ol is sourced from PubChem (CID 65337419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).