2-(aminomethyl)-1-(2-methyltetrazol-5-yl)butan-1-ol

C7H15N5O — CID 165446658

IUPAC2-(aminomethyl)-1-(2-methyltetrazol-5-yl)butan-1-ol
SMILESCCC(CN)C(O)c1nnn(C)n1
InChIInChI=1S/C7H15N5O/c1-3-5(4-8)6(13)7-9-11-12(2)10-7/h5-6,13H,3-4,8H2,1-2H3
InChIKeyJAOIFKIWRMGNLP-UHFFFAOYSA-N
MW185.23 g/mol
LogP-0.77
Rot. Bonds4

About 2-(aminomethyl)-1-(2-methyltetrazol-5-yl)butan-1-ol

2-(aminomethyl)-1-(2-methyltetrazol-5-yl)butan-1-ol (PubChem CID 165446658) has the molecular formula C7H15N5O and a molecular weight of 185.23 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(2-methyltetrazol-5-yl)butan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-1-(2-methyltetrazol-5-yl)butan-1-ol
PubChem CID165446658
Molecular FormulaC7H15N5O
Molecular Weight185.23 g/mol
Exact Mass185.13
IUPAC Name2-(aminomethyl)-1-(2-methyltetrazol-5-yl)butan-1-ol
SMILESCCC(CN)C(O)c1nnn(C)n1
InChIInChI=1S/C7H15N5O/c1-3-5(4-8)6(13)7-9-11-12(2)10-7/h5-6,13H,3-4,8H2,1-2H3
InChIKeyJAOIFKIWRMGNLP-UHFFFAOYSA-N
XLogP-0.77
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 ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(2-methyltetrazol-5-yl)butan-1-ol?
The IUPAC name of 2-(aminomethyl)-1-(2-methyltetrazol-5-yl)butan-1-ol (CID 165446658) is 2-(aminomethyl)-1-(2-methyltetrazol-5-yl)butan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-1-(2-methyltetrazol-5-yl)butan-1-ol?
The canonical SMILES for 2-(aminomethyl)-1-(2-methyltetrazol-5-yl)butan-1-ol is CCC(CN)C(O)c1nnn(C)n1.
What is the InChIKey of 2-(aminomethyl)-1-(2-methyltetrazol-5-yl)butan-1-ol?
The InChIKey is JAOIFKIWRMGNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5O/c1-3-5(4-8)6(13)7-9-11-12(2)10-7/h5-6,13H,3-4,8H2,1-2H3.
What are the key properties of 2-(aminomethyl)-1-(2-methyltetrazol-5-yl)butan-1-ol?
2-(aminomethyl)-1-(2-methyltetrazol-5-yl)butan-1-ol has a molecular weight of 185.23 g/mol, XLogP of -0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(2-methyltetrazol-5-yl)butan-1-ol is sourced from PubChem (CID 165446658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).