tert-butyl 4-[5-(2H-tetrazol-5-yl)pyrazin-2-yl]piperazine-1-carboxylate

C14H20N8O2 — CID 58539805

IUPACtert-butyl 4-[5-(2H-tetrazol-5-yl)pyrazin-2-yl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2cnc(-c3nn[nH]n3)cn2)CC1
InChIInChI=1S/C14H20N8O2/c1-14(2,3)24-13(23)22-6-4-21(5-7-22)11-9-15-10(8-16-11)12-17-19-20-18-12/h8-9H,4-7H2,1-3H3,(H,17,18,19,20)
InChIKeyFXCNTHQYUUUUNF-UHFFFAOYSA-N
MW332.37 g/mol
LogP0.71
Rot. Bonds2

About tert-butyl 4-[5-(2H-tetrazol-5-yl)pyrazin-2-yl]piperazine-1-carboxylate

tert-butyl 4-[5-(2H-tetrazol-5-yl)pyrazin-2-yl]piperazine-1-carboxylate (PubChem CID 58539805) has the molecular formula C14H20N8O2 and a molecular weight of 332.37 g/mol. Its IUPAC name is tert-butyl 4-[5-(2H-tetrazol-5-yl)pyrazin-2-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-(2H-tetrazol-5-yl)pyrazin-2-yl]piperazine-1-carboxylate
PubChem CID58539805
Molecular FormulaC14H20N8O2
Molecular Weight332.37 g/mol
Exact Mass332.17
IUPAC Nametert-butyl 4-[5-(2H-tetrazol-5-yl)pyrazin-2-yl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2cnc(-c3nn[nH]n3)cn2)CC1
InChIInChI=1S/C14H20N8O2/c1-14(2,3)24-13(23)22-6-4-21(5-7-22)11-9-15-10(8-16-11)12-17-19-20-18-12/h8-9H,4-7H2,1-3H3,(H,17,18,19,20)
InChIKeyFXCNTHQYUUUUNF-UHFFFAOYSA-N
XLogP0.71
TPSA113.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

Tert-butyl 4-[5-[2-(2-oxopropyl)tetrazol-5-yl]pyrazin-2-yl]piperazine-1-carboxylate
CID 58539842
tert-butyl 4-[(2S)-2-ethyl-4-[3-methyl-5-(1H-1,2,4-triazol-5-yl)pyrazin-2-yl]piperazin-1-yl]piperidine-1-carboxylate
CID 68043555
2-(4-tert-butylpiperazin-1-yl)-5-(2H-tetrazol-5-yl)pyrazine
CID 68757582
tert-Butyl-4-{5-[2-(2-ethoxy-2-oxoethyl)-2H-tetrazol-5-yl]pyrazin-2-yl}piperazine-1-carboxylate
CID 70866237
tert-butyl 6-methyl-3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
CID 90402321
(S)-tert-butyl 6-methyl-3-(pyrazin-2-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carboxylate
CID 90402323
tert-butyl 3-(pyrazin-2-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carboxylate
CID 90402528
2-tert-butyl-4-[5-(2H-tetrazol-5-yl)pyrazin-2-yl]piperazine-1-carboxylic acid
CID 117897750
tert-butyl (2R)-4-[2-chloro-4-[(5-methyl-2H-triazol-4-yl)amino]pyrimidin-5-yl]-2-methylpiperazine-1-carboxylate
CID 118485118

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-(2H-tetrazol-5-yl)pyrazin-2-yl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-(2H-tetrazol-5-yl)pyrazin-2-yl]piperazine-1-carboxylate (CID 58539805) is tert-butyl 4-[5-(2H-tetrazol-5-yl)pyrazin-2-yl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-(2H-tetrazol-5-yl)pyrazin-2-yl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-(2H-tetrazol-5-yl)pyrazin-2-yl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2cnc(-c3nn[nH]n3)cn2)CC1.
What is the InChIKey of tert-butyl 4-[5-(2H-tetrazol-5-yl)pyrazin-2-yl]piperazine-1-carboxylate?
The InChIKey is FXCNTHQYUUUUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N8O2/c1-14(2,3)24-13(23)22-6-4-21(5-7-22)11-9-15-10(8-16-11)12-17-19-20-18-12/h8-9H,4-7H2,1-3H3,(H,17,18,19,20).
What are the key properties of tert-butyl 4-[5-(2H-tetrazol-5-yl)pyrazin-2-yl]piperazine-1-carboxylate?
tert-butyl 4-[5-(2H-tetrazol-5-yl)pyrazin-2-yl]piperazine-1-carboxylate has a molecular weight of 332.37 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-(2H-tetrazol-5-yl)pyrazin-2-yl]piperazine-1-carboxylate is sourced from PubChem (CID 58539805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).