3-[[(1-methyltetrazol-5-yl)amino]methyl]cyclobutan-1-ol

C7H13N5O — CID 66004624

IUPAC3-[[(1-methyltetrazol-5-yl)amino]methyl]cyclobutan-1-ol
SMILESCn1nnnc1NCC1CC(O)C1
InChIInChI=1S/C7H13N5O/c1-12-7(9-10-11-12)8-4-5-2-6(13)3-5/h5-6,13H,2-4H2,1H3,(H,8,9,11)
InChIKeyOTPCQVUYEPGONK-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.61
Rot. Bonds3

About 3-[[(1-methyltetrazol-5-yl)amino]methyl]cyclobutan-1-ol

3-[[(1-methyltetrazol-5-yl)amino]methyl]cyclobutan-1-ol (PubChem CID 66004624) has the molecular formula C7H13N5O and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-[[(1-methyltetrazol-5-yl)amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[(1-methyltetrazol-5-yl)amino]methyl]cyclobutan-1-ol
PubChem CID66004624
Molecular FormulaC7H13N5O
Molecular Weight183.21 g/mol
Exact Mass183.11
IUPAC Name3-[[(1-methyltetrazol-5-yl)amino]methyl]cyclobutan-1-ol
SMILESCn1nnnc1NCC1CC(O)C1
InChIInChI=1S/C7H13N5O/c1-12-7(9-10-11-12)8-4-5-2-6(13)3-5/h5-6,13H,2-4H2,1H3,(H,8,9,11)
InChIKeyOTPCQVUYEPGONK-UHFFFAOYSA-N
XLogP-0.61
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 ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[(1-methyltetrazol-5-yl)amino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[(1-methyltetrazol-5-yl)amino]methyl]cyclobutan-1-ol (CID 66004624) is 3-[[(1-methyltetrazol-5-yl)amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[(1-methyltetrazol-5-yl)amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[(1-methyltetrazol-5-yl)amino]methyl]cyclobutan-1-ol is Cn1nnnc1NCC1CC(O)C1.
What is the InChIKey of 3-[[(1-methyltetrazol-5-yl)amino]methyl]cyclobutan-1-ol?
The InChIKey is OTPCQVUYEPGONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O/c1-12-7(9-10-11-12)8-4-5-2-6(13)3-5/h5-6,13H,2-4H2,1H3,(H,8,9,11).
What are the key properties of 3-[[(1-methyltetrazol-5-yl)amino]methyl]cyclobutan-1-ol?
3-[[(1-methyltetrazol-5-yl)amino]methyl]cyclobutan-1-ol has a molecular weight of 183.21 g/mol, XLogP of -0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-methyltetrazol-5-yl)amino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 66004624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).