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

C7H13N5O — CID 115669086

IUPAC1-[[(1-methyltetrazol-5-yl)amino]methyl]cyclobutan-1-ol
SMILESCn1nnnc1NCC1(O)CCC1
InChIInChI=1S/C7H13N5O/c1-12-6(9-10-11-12)8-5-7(13)3-2-4-7/h13H,2-5H2,1H3,(H,8,9,11)
InChIKeyYVTTZQCKNKHMSG-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.46
Rot. Bonds3

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

1-[[(1-methyltetrazol-5-yl)amino]methyl]cyclobutan-1-ol (PubChem CID 115669086) has the molecular formula C7H13N5O and a molecular weight of 183.21 g/mol. Its IUPAC name is 1-[[(1-methyltetrazol-5-yl)amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[[(1-methyltetrazol-5-yl)amino]methyl]cyclobutan-1-ol
PubChem CID115669086
Molecular FormulaC7H13N5O
Molecular Weight183.21 g/mol
Exact Mass183.11
IUPAC Name1-[[(1-methyltetrazol-5-yl)amino]methyl]cyclobutan-1-ol
SMILESCn1nnnc1NCC1(O)CCC1
InChIInChI=1S/C7H13N5O/c1-12-6(9-10-11-12)8-5-7(13)3-2-4-7/h13H,2-5H2,1H3,(H,8,9,11)
InChIKeyYVTTZQCKNKHMSG-UHFFFAOYSA-N
XLogP-0.46
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[(1-methyltetrazol-5-yl)amino]methyl]cyclobutan-1-ol?
The IUPAC name of 1-[[(1-methyltetrazol-5-yl)amino]methyl]cyclobutan-1-ol (CID 115669086) is 1-[[(1-methyltetrazol-5-yl)amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[[(1-methyltetrazol-5-yl)amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[[(1-methyltetrazol-5-yl)amino]methyl]cyclobutan-1-ol is Cn1nnnc1NCC1(O)CCC1.
What is the InChIKey of 1-[[(1-methyltetrazol-5-yl)amino]methyl]cyclobutan-1-ol?
The InChIKey is YVTTZQCKNKHMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O/c1-12-6(9-10-11-12)8-5-7(13)3-2-4-7/h13H,2-5H2,1H3,(H,8,9,11).
What are the key properties of 1-[[(1-methyltetrazol-5-yl)amino]methyl]cyclobutan-1-ol?
1-[[(1-methyltetrazol-5-yl)amino]methyl]cyclobutan-1-ol has a molecular weight of 183.21 g/mol, XLogP of -0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1-methyltetrazol-5-yl)amino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 115669086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).