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

C9H18N4 — CID 145392855

IUPAC2-methylpropane;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)C.c1nnc2n1CCNC2
InChIInChI=1S/C5H8N4.C4H10/c1-2-9-4-7-8-5(9)3-6-1;1-4(2)3/h4,6H,1-3H2;4H,1-3H3
InChIKeyAZKSZXLMCMIQAQ-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.04
Rot. Bonds

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

2-methylpropane;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 145392855) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-methylpropane;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name2-methylpropane;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID145392855
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name2-methylpropane;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)C.c1nnc2n1CCNC2
InChIInChI=1S/C5H8N4.C4H10/c1-2-9-4-7-8-5(9)3-6-1;1-4(2)3/h4,6H,1-3H2;4H,1-3H3
InChIKeyAZKSZXLMCMIQAQ-UHFFFAOYSA-N
XLogP1.04
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropane;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 2-methylpropane;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 145392855) is 2-methylpropane;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 2-methylpropane;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 2-methylpropane;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is CC(C)C.c1nnc2n1CCNC2.
What is the InChIKey of 2-methylpropane;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is AZKSZXLMCMIQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4.C4H10/c1-2-9-4-7-8-5(9)3-6-1;1-4(2)3/h4,6H,1-3H2;4H,1-3H3.
What are the key properties of 2-methylpropane;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
2-methylpropane;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 182.27 g/mol, XLogP of 1.04, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 145392855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).