2-[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclopropyl]-N'-hydroxyethanimidamide

C11H18N6O — CID 77070723

IUPAC2-[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclopropyl]-N'-hydroxyethanimidamide
SMILESNC(CC1(CN2CCn3cnnc3C2)CC1)=NO
InChIInChI=1S/C11H18N6O/c12-9(15-18)5-11(1-2-11)7-16-3-4-17-8-13-14-10(17)6-16/h8,18H,1-7H2,(H2,12,15)
InChIKeyHVIMZBRKMUVMDG-UHFFFAOYSA-N
MW250.31 g/mol
LogP0.01
Rot. Bonds4

About 2-[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclopropyl]-N'-hydroxyethanimidamide

2-[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclopropyl]-N'-hydroxyethanimidamide (PubChem CID 77070723) has the molecular formula C11H18N6O and a molecular weight of 250.31 g/mol. Its IUPAC name is 2-[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclopropyl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclopropyl]-N'-hydroxyethanimidamide
PubChem CID77070723
Molecular FormulaC11H18N6O
Molecular Weight250.31 g/mol
Exact Mass250.15
IUPAC Name2-[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclopropyl]-N'-hydroxyethanimidamide
SMILESNC(CC1(CN2CCn3cnnc3C2)CC1)=NO
InChIInChI=1S/C11H18N6O/c12-9(15-18)5-11(1-2-11)7-16-3-4-17-8-13-14-10(17)6-16/h8,18H,1-7H2,(H2,12,15)
InChIKeyHVIMZBRKMUVMDG-UHFFFAOYSA-N
XLogP0.01
TPSA92.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclopropyl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclopropyl]-N'-hydroxyethanimidamide (CID 77070723) is 2-[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclopropyl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclopropyl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclopropyl]-N'-hydroxyethanimidamide is NC(CC1(CN2CCn3cnnc3C2)CC1)=NO.
What is the InChIKey of 2-[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclopropyl]-N'-hydroxyethanimidamide?
The InChIKey is HVIMZBRKMUVMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O/c12-9(15-18)5-11(1-2-11)7-16-3-4-17-8-13-14-10(17)6-16/h8,18H,1-7H2,(H2,12,15).
What are the key properties of 2-[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclopropyl]-N'-hydroxyethanimidamide?
2-[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclopropyl]-N'-hydroxyethanimidamide has a molecular weight of 250.31 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclopropyl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 77070723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).