N-butan-2-ylidene-N'-[1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)ethenyl]methanimidamide

C12H18N6 — CID 144694745

IUPACN-butan-2-ylidene-N'-[1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)ethenyl]methanimidamide
SMILESC=C(/N=C\N=C(/C)CC)N1CCn2ncnc2C1
InChIInChI=1S/C12H18N6/c1-4-10(2)13-8-14-11(3)17-5-6-18-12(7-17)15-9-16-18/h8-9H,3-7H2,1-2H3/b13-10+,14-8-
InChIKeyNJCLQBMIBPLBEJ-QBJQURNTSA-N
MW246.32 g/mol
LogP1.46
Rot. Bonds4

About N-butan-2-ylidene-N'-[1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)ethenyl]methanimidamide

N-butan-2-ylidene-N'-[1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)ethenyl]methanimidamide (PubChem CID 144694745) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is N-butan-2-ylidene-N'-[1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)ethenyl]methanimidamide.

Molecular Properties

Compound NameN-butan-2-ylidene-N'-[1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)ethenyl]methanimidamide
PubChem CID144694745
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC NameN-butan-2-ylidene-N'-[1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)ethenyl]methanimidamide
SMILESC=C(/N=C\N=C(/C)CC)N1CCn2ncnc2C1
InChIInChI=1S/C12H18N6/c1-4-10(2)13-8-14-11(3)17-5-6-18-12(7-17)15-9-16-18/h8-9H,3-7H2,1-2H3/b13-10+,14-8-
InChIKeyNJCLQBMIBPLBEJ-QBJQURNTSA-N
XLogP1.46
TPSA58.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-ylidene-N'-[1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)ethenyl]methanimidamide?
The IUPAC name of N-butan-2-ylidene-N'-[1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)ethenyl]methanimidamide (CID 144694745) is N-butan-2-ylidene-N'-[1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)ethenyl]methanimidamide.
What is the SMILES notation for N-butan-2-ylidene-N'-[1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)ethenyl]methanimidamide?
The canonical SMILES for N-butan-2-ylidene-N'-[1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)ethenyl]methanimidamide is C=C(/N=C\N=C(/C)CC)N1CCn2ncnc2C1.
What is the InChIKey of N-butan-2-ylidene-N'-[1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)ethenyl]methanimidamide?
The InChIKey is NJCLQBMIBPLBEJ-QBJQURNTSA-N. The full InChI is InChI=1S/C12H18N6/c1-4-10(2)13-8-14-11(3)17-5-6-18-12(7-17)15-9-16-18/h8-9H,3-7H2,1-2H3/b13-10+,14-8-.
What are the key properties of N-butan-2-ylidene-N'-[1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)ethenyl]methanimidamide?
N-butan-2-ylidene-N'-[1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)ethenyl]methanimidamide has a molecular weight of 246.32 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-ylidene-N'-[1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)ethenyl]methanimidamide is sourced from PubChem (CID 144694745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).