N-amino-N'-propyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboximidamide

C9H17N7 — CID 104886758

IUPACN-amino-N'-propyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboximidamide
SMILESCCC/N=C(\NN)N1CCn2cnnc2C1
InChIInChI=1S/C9H17N7/c1-2-3-11-9(13-10)15-4-5-16-7-12-14-8(16)6-15/h7H,2-6,10H2,1H3,(H,11,13)
InChIKeyXGDCWWDLYFIDJZ-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.68
Rot. Bonds2

About N-amino-N'-propyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboximidamide

N-amino-N'-propyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboximidamide (PubChem CID 104886758) has the molecular formula C9H17N7 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-amino-N'-propyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-propyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboximidamide
PubChem CID104886758
Molecular FormulaC9H17N7
Molecular Weight223.28 g/mol
Exact Mass223.15
IUPAC NameN-amino-N'-propyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboximidamide
SMILESCCC/N=C(\NN)N1CCn2cnnc2C1
InChIInChI=1S/C9H17N7/c1-2-3-11-9(13-10)15-4-5-16-7-12-14-8(16)6-15/h7H,2-6,10H2,1H3,(H,11,13)
InChIKeyXGDCWWDLYFIDJZ-UHFFFAOYSA-N
XLogP-0.68
TPSA84.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 N-amino-N'-propyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboximidamide?
The IUPAC name of N-amino-N'-propyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboximidamide (CID 104886758) is N-amino-N'-propyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboximidamide.
What is the SMILES notation for N-amino-N'-propyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboximidamide?
The canonical SMILES for N-amino-N'-propyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboximidamide is CCC/N=C(\NN)N1CCn2cnnc2C1.
What is the InChIKey of N-amino-N'-propyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboximidamide?
The InChIKey is XGDCWWDLYFIDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N7/c1-2-3-11-9(13-10)15-4-5-16-7-12-14-8(16)6-15/h7H,2-6,10H2,1H3,(H,11,13).
What are the key properties of N-amino-N'-propyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboximidamide?
N-amino-N'-propyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboximidamide has a molecular weight of 223.28 g/mol, XLogP of -0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-propyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboximidamide is sourced from PubChem (CID 104886758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).