3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrazin-2-amine

C11H14N6 — CID 63260374

IUPAC3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrazin-2-amine
SMILESNc1nccnc1-c1nnc2n1CCCCC2
InChIInChI=1S/C11H14N6/c12-10-9(13-5-6-14-10)11-16-15-8-4-2-1-3-7-17(8)11/h5-6H,1-4,7H2,(H2,12,14)
InChIKeyUDCDQODKRWTTFL-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.04
Rot. Bonds1

About 3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrazin-2-amine

3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrazin-2-amine (PubChem CID 63260374) has the molecular formula C11H14N6 and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrazin-2-amine.

Molecular Properties

Compound Name3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrazin-2-amine
PubChem CID63260374
Molecular FormulaC11H14N6
Molecular Weight230.27 g/mol
Exact Mass230.13
IUPAC Name3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrazin-2-amine
SMILESNc1nccnc1-c1nnc2n1CCCCC2
InChIInChI=1S/C11H14N6/c12-10-9(13-5-6-14-10)11-16-15-8-4-2-1-3-7-17(8)11/h5-6H,1-4,7H2,(H2,12,14)
InChIKeyUDCDQODKRWTTFL-UHFFFAOYSA-N
XLogP1.04
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrazin-2-amine?
The IUPAC name of 3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrazin-2-amine (CID 63260374) is 3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrazin-2-amine.
What is the SMILES notation for 3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrazin-2-amine?
The canonical SMILES for 3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrazin-2-amine is Nc1nccnc1-c1nnc2n1CCCCC2.
What is the InChIKey of 3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrazin-2-amine?
The InChIKey is UDCDQODKRWTTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6/c12-10-9(13-5-6-14-10)11-16-15-8-4-2-1-3-7-17(8)11/h5-6H,1-4,7H2,(H2,12,14).
What are the key properties of 3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrazin-2-amine?
3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrazin-2-amine has a molecular weight of 230.27 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrazin-2-amine is sourced from PubChem (CID 63260374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).