6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a][1,4]diazepine

C6H10N4 — CID 68900615

IUPAC6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a][1,4]diazepine
SMILESc1nc2n(n1)CCCNC2
InChIInChI=1S/C6H10N4/c1-2-7-4-6-8-5-9-10(6)3-1/h5,7H,1-4H2
InChIKeyCAOYNYOBIXURST-UHFFFAOYSA-N
MW138.17 g/mol
LogP-0.23
Rot. Bonds

About 6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a][1,4]diazepine

6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a][1,4]diazepine (PubChem CID 68900615) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is 6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a][1,4]diazepine
PubChem CID68900615
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC Name6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a][1,4]diazepine
SMILESc1nc2n(n1)CCCNC2
InChIInChI=1S/C6H10N4/c1-2-7-4-6-8-5-9-10(6)3-1/h5,7H,1-4H2
InChIKeyCAOYNYOBIXURST-UHFFFAOYSA-N
XLogP-0.23
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a][1,4]diazepine?
The IUPAC name of 6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a][1,4]diazepine (CID 68900615) is 6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a][1,4]diazepine.
What is the SMILES notation for 6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a][1,4]diazepine?
The canonical SMILES for 6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a][1,4]diazepine is c1nc2n(n1)CCCNC2.
What is the InChIKey of 6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a][1,4]diazepine?
The InChIKey is CAOYNYOBIXURST-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4/c1-2-7-4-6-8-5-9-10(6)3-1/h5,7H,1-4H2.
What are the key properties of 6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a][1,4]diazepine?
6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a][1,4]diazepine has a molecular weight of 138.17 g/mol, XLogP of -0.23, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a][1,4]diazepine is sourced from PubChem (CID 68900615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).