(6-imino-1,3-dimethyl-2H-pyrazin-5-ylidene)methanamine

C7H12N4 — CID 145668127

IUPAC(6-imino-1,3-dimethyl-2H-pyrazin-5-ylidene)methanamine
SMILESCC1=NC(=CN)C(=N)N(C1)C
InChIInChI=1S/C7H12N4/c1-5-4-11(2)7(9)6(3-8)10-5/h3,9H,4,8H2,1-2H3
InChIKeyYGPPUSUSQROCRX-UHFFFAOYSA-N
MW152.20 g/mol
LogP-0.90
Rot. Bonds

About (6-imino-1,3-dimethyl-2H-pyrazin-5-ylidene)methanamine

(6-imino-1,3-dimethyl-2H-pyrazin-5-ylidene)methanamine (PubChem CID 145668127) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is (6-imino-1,3-dimethyl-2H-pyrazin-5-ylidene)methanamine.

Molecular Properties

Compound Name(6-imino-1,3-dimethyl-2H-pyrazin-5-ylidene)methanamine
PubChem CID145668127
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name(6-imino-1,3-dimethyl-2H-pyrazin-5-ylidene)methanamine
SMILESCC1=NC(=CN)C(=N)N(C1)C
InChIInChI=1S/C7H12N4/c1-5-4-11(2)7(9)6(3-8)10-5/h3,9H,4,8H2,1-2H3
InChIKeyYGPPUSUSQROCRX-UHFFFAOYSA-N
XLogP-0.90
TPSA65.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity239

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6-imino-1,3-dimethyl-2H-pyrazin-5-ylidene)methanamine?
The IUPAC name of (6-imino-1,3-dimethyl-2H-pyrazin-5-ylidene)methanamine (CID 145668127) is (6-imino-1,3-dimethyl-2H-pyrazin-5-ylidene)methanamine.
What is the SMILES notation for (6-imino-1,3-dimethyl-2H-pyrazin-5-ylidene)methanamine?
The canonical SMILES for (6-imino-1,3-dimethyl-2H-pyrazin-5-ylidene)methanamine is CC1=NC(=CN)C(=N)N(C1)C.
What is the InChIKey of (6-imino-1,3-dimethyl-2H-pyrazin-5-ylidene)methanamine?
The InChIKey is YGPPUSUSQROCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c1-5-4-11(2)7(9)6(3-8)10-5/h3,9H,4,8H2,1-2H3.
What are the key properties of (6-imino-1,3-dimethyl-2H-pyrazin-5-ylidene)methanamine?
(6-imino-1,3-dimethyl-2H-pyrazin-5-ylidene)methanamine has a molecular weight of 152.20 g/mol, XLogP of -0.90, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-imino-1,3-dimethyl-2H-pyrazin-5-ylidene)methanamine is sourced from PubChem (CID 145668127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).