8-tert-butyl-3-[(1-methoxycyclobutyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

C15H26N4O — CID 103560656

IUPAC8-tert-butyl-3-[(1-methoxycyclobutyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOC1(Cc2nnc3n2CCNC3C(C)(C)C)CCC1
InChIInChI=1S/C15H26N4O/c1-14(2,3)12-13-18-17-11(19(13)9-8-16-12)10-15(20-4)6-5-7-15/h12,16H,5-10H2,1-4H3
InChIKeyPNOPDCJWKOWTKH-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.08
Rot. Bonds3

About 8-tert-butyl-3-[(1-methoxycyclobutyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

8-tert-butyl-3-[(1-methoxycyclobutyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 103560656) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 8-tert-butyl-3-[(1-methoxycyclobutyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-tert-butyl-3-[(1-methoxycyclobutyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID103560656
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name8-tert-butyl-3-[(1-methoxycyclobutyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOC1(Cc2nnc3n2CCNC3C(C)(C)C)CCC1
InChIInChI=1S/C15H26N4O/c1-14(2,3)12-13-18-17-11(19(13)9-8-16-12)10-15(20-4)6-5-7-15/h12,16H,5-10H2,1-4H3
InChIKeyPNOPDCJWKOWTKH-UHFFFAOYSA-N
XLogP2.08
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-3-[(1-methoxycyclobutyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-tert-butyl-3-[(1-methoxycyclobutyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 103560656) is 8-tert-butyl-3-[(1-methoxycyclobutyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-tert-butyl-3-[(1-methoxycyclobutyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-tert-butyl-3-[(1-methoxycyclobutyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is COC1(Cc2nnc3n2CCNC3C(C)(C)C)CCC1.
What is the InChIKey of 8-tert-butyl-3-[(1-methoxycyclobutyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is PNOPDCJWKOWTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-14(2,3)12-13-18-17-11(19(13)9-8-16-12)10-15(20-4)6-5-7-15/h12,16H,5-10H2,1-4H3.
What are the key properties of 8-tert-butyl-3-[(1-methoxycyclobutyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
8-tert-butyl-3-[(1-methoxycyclobutyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 278.40 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-3-[(1-methoxycyclobutyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 103560656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).