3-amino-N-[(2Z,4Z)-2,5-diamino-4-methylpenta-2,4-dienyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide

About 3-amino-N-[(2Z,4Z)-2,5-diamino-4-methylpenta-2,4-dienyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide

3-amino-N-[(2Z,4Z)-2,5-diamino-4-methylpenta-2,4-dienyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (PubChem CID 145085896) has the molecular formula C15H19N7O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 3-amino-N-[(2Z,4Z)-2,5-diamino-4-methylpenta-2,4-dienyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name	3-amino-N-[(2Z,4Z)-2,5-diamino-4-methylpenta-2,4-dienyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
PubChem CID	145085896
Molecular Formula	C15H19N7O2
Molecular Weight	329.36 g/mol
Exact Mass	329.16
IUPAC Name	3-amino-N-[(2Z,4Z)-2,5-diamino-4-methylpenta-2,4-dienyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILES	CC(=C/N)/C=C(\N)CNC(=O)c1nc(C)c(-c2ncco2)nc1N
InChI	InChI=1S/C15H19N7O2/c1-8(6-16)5-10(17)7-20-14(23)12-13(18)22-11(9(2)21-12)15-19-3-4-24-15/h3-6H,7,16-17H2,1-2H3,(H2,18,22)(H,20,23)/b8-6-,10-5-
InChIKey	GERIQNCGWPPHOZ-BHJHHZOLSA-N
XLogP	0.46
TPSA	158.97 Å²
H-Bond Donors	4
H-Bond Acceptors	8
Rotatable Bonds	5
Heavy Atoms	24
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	329.36
LogP ≤ 5	0.46
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2Z,4Z)-2,5-diamino-4-methylpenta-2,4-dienyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?

The IUPAC name of 3-amino-N-[(2Z,4Z)-2,5-diamino-4-methylpenta-2,4-dienyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (CID 145085896) is 3-amino-N-[(2Z,4Z)-2,5-diamino-4-methylpenta-2,4-dienyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.

What is the SMILES notation for 3-amino-N-[(2Z,4Z)-2,5-diamino-4-methylpenta-2,4-dienyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?

The canonical SMILES for 3-amino-N-[(2Z,4Z)-2,5-diamino-4-methylpenta-2,4-dienyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is CC(=C/N)/C=C(\N)CNC(=O)c1nc(C)c(-c2ncco2)nc1N.

What is the InChIKey of 3-amino-N-[(2Z,4Z)-2,5-diamino-4-methylpenta-2,4-dienyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?

The InChIKey is GERIQNCGWPPHOZ-BHJHHZOLSA-N. The full InChI is InChI=1S/C15H19N7O2/c1-8(6-16)5-10(17)7-20-14(23)12-13(18)22-11(9(2)21-12)15-19-3-4-24-15/h3-6H,7,16-17H2,1-2H3,(H2,18,22)(H,20,23)/b8-6-,10-5-.

What are the key properties of 3-amino-N-[(2Z,4Z)-2,5-diamino-4-methylpenta-2,4-dienyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?

3-amino-N-[(2Z,4Z)-2,5-diamino-4-methylpenta-2,4-dienyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 0.46, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[(2Z,4Z)-2,5-diamino-4-methylpenta-2,4-dienyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 145085896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).