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

C10H18N4 — CID 62588060

IUPAC3-pentan-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCC(CC)c1nnc2n1CCNC2
InChIInChI=1S/C10H18N4/c1-3-8(4-2)10-13-12-9-7-11-5-6-14(9)10/h8,11H,3-7H2,1-2H3
InChIKeySEZJZNBAZDJNHF-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.28
Rot. Bonds3

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

3-pentan-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 62588060) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-pentan-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-pentan-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID62588060
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name3-pentan-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCC(CC)c1nnc2n1CCNC2
InChIInChI=1S/C10H18N4/c1-3-8(4-2)10-13-12-9-7-11-5-6-14(9)10/h8,11H,3-7H2,1-2H3
InChIKeySEZJZNBAZDJNHF-UHFFFAOYSA-N
XLogP1.28
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-pentan-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-pentan-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 62588060) is 3-pentan-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-pentan-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-pentan-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is CCC(CC)c1nnc2n1CCNC2.
What is the InChIKey of 3-pentan-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is SEZJZNBAZDJNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-3-8(4-2)10-13-12-9-7-11-5-6-14(9)10/h8,11H,3-7H2,1-2H3.
What are the key properties of 3-pentan-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
3-pentan-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 194.28 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentan-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 62588060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).