tert-butyl N-[(2-methyltetrazol-5-yl)methyl]carbamate

C8H15N5O2 — CID 45092164

IUPACtert-butyl N-[(2-methyltetrazol-5-yl)methyl]carbamate
SMILESCn1nnc(CNC(=O)OC(C)(C)C)n1
InChIInChI=1S/C8H15N5O2/c1-8(2,3)15-7(14)9-5-6-10-12-13(4)11-6/h5H2,1-4H3,(H,9,14)
InChIKeyYALYSJRYXRSCJQ-UHFFFAOYSA-N
MW213.24 g/mol
LogP0.23
Rot. Bonds2

About tert-butyl N-[(2-methyltetrazol-5-yl)methyl]carbamate

tert-butyl N-[(2-methyltetrazol-5-yl)methyl]carbamate (PubChem CID 45092164) has the molecular formula C8H15N5O2 and a molecular weight of 213.24 g/mol. Its IUPAC name is tert-butyl N-[(2-methyltetrazol-5-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2-methyltetrazol-5-yl)methyl]carbamate
PubChem CID45092164
Molecular FormulaC8H15N5O2
Molecular Weight213.24 g/mol
Exact Mass213.12
IUPAC Nametert-butyl N-[(2-methyltetrazol-5-yl)methyl]carbamate
SMILESCn1nnc(CNC(=O)OC(C)(C)C)n1
InChIInChI=1S/C8H15N5O2/c1-8(2,3)15-7(14)9-5-6-10-12-13(4)11-6/h5H2,1-4H3,(H,9,14)
InChIKeyYALYSJRYXRSCJQ-UHFFFAOYSA-N
XLogP0.23
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclopropyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-(2-methyltetrazol-5-yl)propanoic acid
CID 107067066
tert-butyl N-[2-(5-methyltetrazol-2-yl)ethyl]carbamate
CID 90148596
tert-butyl N-[(4-methylthiadiazol-5-yl)methyl]carbamate
CID 130992862
tert-butyl N-[(5-chloro-1,2,4-thiadiazol-3-yl)methyl]carbamate
CID 23404363
2,2-dimethyl-3-(2-methyltetrazol-5-yl)propanoic acid
CID 107045107
2-methyl-N-[2-(2-methyltetrazol-5-yl)ethyl]propan-2-amine
CID 107049249
tert-butyl N-[(1-ethylpyrazol-3-yl)methyl]carbamate
CID 163355422
tert-butyl N-[(3-tert-butylimidazol-4-yl)methyl]carbamate
CID 114703682
tert-butyl N-[[6-(tetrazol-2-yl)pyridazin-3-yl]methyl]carbamate
CID 140770591
tert-butyl N-[[3-(2,2,2-trifluoroethyl)imidazol-4-yl]methyl]carbamate
CID 114703197
tert-butyl N-[(3-butan-2-ylimidazol-4-yl)methyl]carbamate
CID 114703505
ethyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,2,4-oxadiazole-5-carboxylate
CID 50742305

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2-methyltetrazol-5-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(2-methyltetrazol-5-yl)methyl]carbamate (CID 45092164) is tert-butyl N-[(2-methyltetrazol-5-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2-methyltetrazol-5-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(2-methyltetrazol-5-yl)methyl]carbamate is Cn1nnc(CNC(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl N-[(2-methyltetrazol-5-yl)methyl]carbamate?
The InChIKey is YALYSJRYXRSCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O2/c1-8(2,3)15-7(14)9-5-6-10-12-13(4)11-6/h5H2,1-4H3,(H,9,14).
What are the key properties of tert-butyl N-[(2-methyltetrazol-5-yl)methyl]carbamate?
tert-butyl N-[(2-methyltetrazol-5-yl)methyl]carbamate has a molecular weight of 213.24 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2-methyltetrazol-5-yl)methyl]carbamate is sourced from PubChem (CID 45092164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).