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

C9H17N5O2 — CID 90148596

IUPACtert-butyl N-[2-(5-methyltetrazol-2-yl)ethyl]carbamate
SMILESCc1nnn(CCNC(=O)OC(C)(C)C)n1
InChIInChI=1S/C9H17N5O2/c1-7-11-13-14(12-7)6-5-10-8(15)16-9(2,3)4/h5-6H2,1-4H3,(H,10,15)
InChIKeyCNRCSDMODRFUTM-UHFFFAOYSA-N
MW227.27 g/mol
LogP0.51
Rot. Bonds3

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

tert-butyl N-[2-(5-methyltetrazol-2-yl)ethyl]carbamate (PubChem CID 90148596) has the molecular formula C9H17N5O2 and a molecular weight of 227.27 g/mol. Its IUPAC name is tert-butyl N-[2-(5-methyltetrazol-2-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(5-methyltetrazol-2-yl)ethyl]carbamate
PubChem CID90148596
Molecular FormulaC9H17N5O2
Molecular Weight227.27 g/mol
Exact Mass227.14
IUPAC Nametert-butyl N-[2-(5-methyltetrazol-2-yl)ethyl]carbamate
SMILESCc1nnn(CCNC(=O)OC(C)(C)C)n1
InChIInChI=1S/C9H17N5O2/c1-7-11-13-14(12-7)6-5-10-8(15)16-9(2,3)4/h5-6H2,1-4H3,(H,10,15)
InChIKeyCNRCSDMODRFUTM-UHFFFAOYSA-N
XLogP0.51
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[(2-methyltetrazol-5-yl)methyl]carbamate
CID 45092164
tert-butyl N-[2-(4-carbamoyltriazol-1-yl)ethyl]carbamate
CID 126422556
diethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazole-3,5-dicarboxylate
CID 67968131
methyl 5-bromo-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]triazole-4-carboxylate
CID 147324568
tert-butyl N-[2-(2-chloro-4,5-dimethylimidazol-1-yl)ethyl]carbamate
CID 139555936
tert-butyl N-[2-(1,2,4-triazol-1-yl)ethyl]carbamate
CID 130752729
N-[2-(5-methyltetrazol-2-yl)ethyl]-3-propan-2-ylthiophene-2-carboxamide
CID 71849693
tert-butyl N-[2-(2,6-dimethyl-4-sulfanylidene-1-pyridinyl)ethyl]carbamate
CID 13199803
ethyl 5-acetyl-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazole-3-carboxylate
CID 171616214
tert-butyl N-[3-(tetrazol-1-yl)propyl]carbamate
CID 54407634
tert-butyl N-[2-[4-(3-hydroxyphenyl)triazol-1-yl]ethyl]carbamate
CID 170636799
2-[2-(2-aminoethyl)tetrazol-5-yl]-N-[3-(trifluoromethyl)phenyl]aniline;tert-butyl N-[2-[5-[2-[3-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethyl]carbamate
CID 160643507

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(5-methyltetrazol-2-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(5-methyltetrazol-2-yl)ethyl]carbamate (CID 90148596) is tert-butyl N-[2-(5-methyltetrazol-2-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(5-methyltetrazol-2-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(5-methyltetrazol-2-yl)ethyl]carbamate is Cc1nnn(CCNC(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl N-[2-(5-methyltetrazol-2-yl)ethyl]carbamate?
The InChIKey is CNRCSDMODRFUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2/c1-7-11-13-14(12-7)6-5-10-8(15)16-9(2,3)4/h5-6H2,1-4H3,(H,10,15).
What are the key properties of tert-butyl N-[2-(5-methyltetrazol-2-yl)ethyl]carbamate?
tert-butyl N-[2-(5-methyltetrazol-2-yl)ethyl]carbamate has a molecular weight of 227.27 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(5-methyltetrazol-2-yl)ethyl]carbamate is sourced from PubChem (CID 90148596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).