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

C9H16N4 — CID 153319529

IUPAC6-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)(C)C1Cn2cnnc2CN1
InChIInChI=1S/C9H16N4/c1-9(2,3)7-5-13-6-11-12-8(13)4-10-7/h6-7,10H,4-5H2,1-3H3
InChIKeyMHCXCVCWKWAWNR-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.80
Rot. Bonds

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

6-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 153319529) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 6-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name6-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID153319529
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name6-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)(C)C1Cn2cnnc2CN1
InChIInChI=1S/C9H16N4/c1-9(2,3)7-5-13-6-11-12-8(13)4-10-7/h6-7,10H,4-5H2,1-3H3
InChIKeyMHCXCVCWKWAWNR-UHFFFAOYSA-N
XLogP0.80
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Isopropyl-4H-1,2,4-triazol-3-yl)piperidine dihydrochloride
CID 50988293
5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyrazine
CID 17998718
8-methyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine
CID 66846312
3-(propan-2-yl)-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyridin-6-amine
CID 50986550
3-ethyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 50987852
4-(3-ethyl-4H-1,2,4-triazol-4-yl)piperidine
CID 83282897
1-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}ethan-1-amine
CID 71695363
3,8-dimethyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine
CID 60728056
N-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-N-methylpiperidin-3-amine
CID 56702202
[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]methyl(3-piperidinylmethyl)amine dihydrochloride
CID 70768653
5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyridin-8-amine hydrochloride
CID 119031288
5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyridin-8-amine dihydrochloride
CID 137943633

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 6-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 153319529) is 6-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 6-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 6-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is CC(C)(C)C1Cn2cnnc2CN1.
What is the InChIKey of 6-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is MHCXCVCWKWAWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-9(2,3)7-5-13-6-11-12-8(13)4-10-7/h6-7,10H,4-5H2,1-3H3.
What are the key properties of 6-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
6-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 180.25 g/mol, XLogP of 0.80, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 153319529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).