[4-[(1-methyltetrazol-5-yl)amino]oxan-4-yl]methanol

C8H15N5O2 — CID 106299427

IUPAC[4-[(1-methyltetrazol-5-yl)amino]oxan-4-yl]methanol
SMILESCn1nnnc1NC1(CO)CCOCC1
InChIInChI=1S/C8H15N5O2/c1-13-7(10-11-12-13)9-8(6-14)2-4-15-5-3-8/h14H,2-6H2,1H3,(H,9,10,12)
InChIKeyJQJWJEGAVPYGTK-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.84
Rot. Bonds3

About [4-[(1-methyltetrazol-5-yl)amino]oxan-4-yl]methanol

[4-[(1-methyltetrazol-5-yl)amino]oxan-4-yl]methanol (PubChem CID 106299427) has the molecular formula C8H15N5O2 and a molecular weight of 213.24 g/mol. Its IUPAC name is [4-[(1-methyltetrazol-5-yl)amino]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[(1-methyltetrazol-5-yl)amino]oxan-4-yl]methanol
PubChem CID106299427
Molecular FormulaC8H15N5O2
Molecular Weight213.24 g/mol
Exact Mass213.12
IUPAC Name[4-[(1-methyltetrazol-5-yl)amino]oxan-4-yl]methanol
SMILESCn1nnnc1NC1(CO)CCOCC1
InChIInChI=1S/C8H15N5O2/c1-13-7(10-11-12-13)9-8(6-14)2-4-15-5-3-8/h14H,2-6H2,1H3,(H,9,10,12)
InChIKeyJQJWJEGAVPYGTK-UHFFFAOYSA-N
XLogP-0.84
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(chloromethyl)-4-methylcyclohexyl]-1-methyltetrazol-5-amine
CID 65028310
[4-[(2-methyltetrazol-5-yl)methylamino]oxan-4-yl]methanol
CID 106297503
4-bromo-5-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methylpyridazin-3-one
CID 114170435
[4-[(2,6-dimethylpyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 114170393
[4-[(6-chloro-2-methylpyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 106300524
(E)-N-[4-(hydroxymethyl)oxan-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 104630543
[4-[(1-methyl-4-nitro-3-propylpyrazol-5-yl)amino]oxan-4-yl]methanol
CID 106299616
2-[(1-methyltetrazol-5-yl)amino]ethanol
CID 63152176
1-methyl-N-(3-methylazetidin-3-yl)tetrazol-5-amine
CID 130942275
[4-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]oxan-4-yl]methanol
CID 106301212
[4-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]oxan-4-yl]methanol
CID 106300603
[4-[(3-amino-1,2,4-thiadiazol-5-yl)amino]oxan-4-yl]methanol
CID 106301087

Frequently Asked Questions

What is the IUPAC name of [4-[(1-methyltetrazol-5-yl)amino]oxan-4-yl]methanol?
The IUPAC name of [4-[(1-methyltetrazol-5-yl)amino]oxan-4-yl]methanol (CID 106299427) is [4-[(1-methyltetrazol-5-yl)amino]oxan-4-yl]methanol.
What is the SMILES notation for [4-[(1-methyltetrazol-5-yl)amino]oxan-4-yl]methanol?
The canonical SMILES for [4-[(1-methyltetrazol-5-yl)amino]oxan-4-yl]methanol is Cn1nnnc1NC1(CO)CCOCC1.
What is the InChIKey of [4-[(1-methyltetrazol-5-yl)amino]oxan-4-yl]methanol?
The InChIKey is JQJWJEGAVPYGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O2/c1-13-7(10-11-12-13)9-8(6-14)2-4-15-5-3-8/h14H,2-6H2,1H3,(H,9,10,12).
What are the key properties of [4-[(1-methyltetrazol-5-yl)amino]oxan-4-yl]methanol?
[4-[(1-methyltetrazol-5-yl)amino]oxan-4-yl]methanol has a molecular weight of 213.24 g/mol, XLogP of -0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1-methyltetrazol-5-yl)amino]oxan-4-yl]methanol is sourced from PubChem (CID 106299427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).