butyl N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)carbamate

C10H17N5O2 — CID 175756110

IUPACbutyl N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)carbamate
SMILESCCCCOC(=O)Nc1nc2n(n1)CCNC2
InChIInChI=1S/C10H17N5O2/c1-2-3-6-17-10(16)13-9-12-8-7-11-4-5-15(8)14-9/h11H,2-7H2,1H3,(H,13,14,16)
InChIKeyZNSKHBCBOOPUQJ-UHFFFAOYSA-N
MW239.28 g/mol
LogP0.73
Rot. Bonds4

About butyl N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)carbamate

butyl N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)carbamate (PubChem CID 175756110) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is butyl N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)carbamate.

Molecular Properties

Compound Namebutyl N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)carbamate
PubChem CID175756110
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Namebutyl N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)carbamate
SMILESCCCCOC(=O)Nc1nc2n(n1)CCNC2
InChIInChI=1S/C10H17N5O2/c1-2-3-6-17-10(16)13-9-12-8-7-11-4-5-15(8)14-9/h11H,2-7H2,1H3,(H,13,14,16)
InChIKeyZNSKHBCBOOPUQJ-UHFFFAOYSA-N
XLogP0.73
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze butyl N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)carbamate with MolForge

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Related Compounds

butyl N-piperazin-1-ylcarbamate
CID 154398966
butyl 2-[4,7-bis(2-butoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 23113355
butyl N-[4-[4-(butoxycarbonylamino)phenyl]phenyl]carbamate
CID 70896336
butyl N-[4,5-di(cyclobutyl)-2-methylpyrazol-3-yl]carbamate
CID 176835402
butyl N-butylcarbamate;molecular hydrogen
CID 142164887
ethyl N-(8-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)carbamate
CID 110455453
butyl 9-piperazin-1-ylnonanoate
CID 155795088
butyl (2R)-2-methylpiperazine-1-carboxylate
CID 70918230
butyl N-(4-cyclobutyl-5-cyclopentyl-2-methylpyrazol-3-yl)carbamate
CID 176835406
butoxycarbonylcarbamic acid
CID 22136826
butyl N-(4-pyrrolidin-3-ylpiperazin-1-yl)carbamate
CID 175834152
butyl N-[4-(hydroxymethyl)-4,5-dihydro-1,3-thiazol-2-yl]carbamate
CID 151955508

Frequently Asked Questions

What is the IUPAC name of butyl N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)carbamate?
The IUPAC name of butyl N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)carbamate (CID 175756110) is butyl N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)carbamate.
What is the SMILES notation for butyl N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)carbamate?
The canonical SMILES for butyl N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)carbamate is CCCCOC(=O)Nc1nc2n(n1)CCNC2.
What is the InChIKey of butyl N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)carbamate?
The InChIKey is ZNSKHBCBOOPUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-2-3-6-17-10(16)13-9-12-8-7-11-4-5-15(8)14-9/h11H,2-7H2,1H3,(H,13,14,16).
What are the key properties of butyl N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)carbamate?
butyl N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)carbamate has a molecular weight of 239.28 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)carbamate is sourced from PubChem (CID 175756110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).