1-amino-2-[(2-methyltetrazol-5-yl)methyl]butan-2-ol

C7H15N5O — CID 107046307

IUPAC1-amino-2-[(2-methyltetrazol-5-yl)methyl]butan-2-ol
SMILESCCC(O)(CN)Cc1nnn(C)n1
InChIInChI=1S/C7H15N5O/c1-3-7(13,5-8)4-6-9-11-12(2)10-6/h13H,3-5,8H2,1-2H3
InChIKeyXIXIRHOSZMMWLY-UHFFFAOYSA-N
MW185.23 g/mol
LogP-1.15
Rot. Bonds4

About 1-amino-2-[(2-methyltetrazol-5-yl)methyl]butan-2-ol

1-amino-2-[(2-methyltetrazol-5-yl)methyl]butan-2-ol (PubChem CID 107046307) has the molecular formula C7H15N5O and a molecular weight of 185.23 g/mol. Its IUPAC name is 1-amino-2-[(2-methyltetrazol-5-yl)methyl]butan-2-ol.

Molecular Properties

Compound Name1-amino-2-[(2-methyltetrazol-5-yl)methyl]butan-2-ol
PubChem CID107046307
Molecular FormulaC7H15N5O
Molecular Weight185.23 g/mol
Exact Mass185.13
IUPAC Name1-amino-2-[(2-methyltetrazol-5-yl)methyl]butan-2-ol
SMILESCCC(O)(CN)Cc1nnn(C)n1
InChIInChI=1S/C7H15N5O/c1-3-7(13,5-8)4-6-9-11-12(2)10-6/h13H,3-5,8H2,1-2H3
InChIKeyXIXIRHOSZMMWLY-UHFFFAOYSA-N
XLogP-1.15
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 ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-amino-2-cyclopropyl-3-(2-methyltetrazol-5-yl)propan-2-ol
CID 107046313
2-[(2-methyltetrazol-5-yl)methyl]-2-propylpropane-1,3-diol
CID 107058378
2-(aminomethyl)-3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid
CID 107067051
2-cyclopropyl-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107053537
3-hydroxy-3-methyl-4-(2-methyltetrazol-5-yl)butanal
CID 107046138
2-(aminomethyl)-2-(2-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-1-ol
CID 107053917
2,3-dimethyl-1-(2-methyltetrazol-5-yl)butan-2-amine
CID 107046659
2,2-dimethyl-3-(2-methyltetrazol-5-yl)propanoic acid
CID 107045107
5-[3-chloro-2-(chloromethyl)-2-methylpropyl]-2-methyltetrazole
CID 107058457
3-ethoxy-2-methyl-2-[(2-methyltetrazol-5-yl)methyl]-3-oxopropanoic acid
CID 107061624
N-ethyl-2,2-dimethyl-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107053097
2-ethyl-N-(2-methoxyethyl)-2-[(2-methyltetrazol-5-yl)methyl]butan-1-amine
CID 107053196

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[(2-methyltetrazol-5-yl)methyl]butan-2-ol?
The IUPAC name of 1-amino-2-[(2-methyltetrazol-5-yl)methyl]butan-2-ol (CID 107046307) is 1-amino-2-[(2-methyltetrazol-5-yl)methyl]butan-2-ol.
What is the SMILES notation for 1-amino-2-[(2-methyltetrazol-5-yl)methyl]butan-2-ol?
The canonical SMILES for 1-amino-2-[(2-methyltetrazol-5-yl)methyl]butan-2-ol is CCC(O)(CN)Cc1nnn(C)n1.
What is the InChIKey of 1-amino-2-[(2-methyltetrazol-5-yl)methyl]butan-2-ol?
The InChIKey is XIXIRHOSZMMWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5O/c1-3-7(13,5-8)4-6-9-11-12(2)10-6/h13H,3-5,8H2,1-2H3.
What are the key properties of 1-amino-2-[(2-methyltetrazol-5-yl)methyl]butan-2-ol?
1-amino-2-[(2-methyltetrazol-5-yl)methyl]butan-2-ol has a molecular weight of 185.23 g/mol, XLogP of -1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[(2-methyltetrazol-5-yl)methyl]butan-2-ol is sourced from PubChem (CID 107046307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).