3-amino-N-(diaminomethylidene)-5-[2-hydroxyethyl(methyl)amino]-6-phenylpyrazine-2-carboxamide

C15H19N7O2 — CID 177376669

IUPAC3-amino-N-(diaminomethylidene)-5-[2-hydroxyethyl(methyl)amino]-6-phenylpyrazine-2-carboxamide
SMILESCN(CCO)c1nc(N)c(C(=O)N=C(N)N)nc1-c1ccccc1
InChIInChI=1S/C15H19N7O2/c1-22(7-8-23)13-10(9-5-3-2-4-6-9)19-11(12(16)20-13)14(24)21-15(17)18/h2-6,23H,7-8H2,1H3,(H2,16,20)(H4,17,18,21,24)
InChIKeyIYIAMGMHHSQZIE-UHFFFAOYSA-N
MW329.36 g/mol
LogP-0.43
Rot. Bonds5

About 3-amino-N-(diaminomethylidene)-5-[2-hydroxyethyl(methyl)amino]-6-phenylpyrazine-2-carboxamide

3-amino-N-(diaminomethylidene)-5-[2-hydroxyethyl(methyl)amino]-6-phenylpyrazine-2-carboxamide (PubChem CID 177376669) has the molecular formula C15H19N7O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 3-amino-N-(diaminomethylidene)-5-[2-hydroxyethyl(methyl)amino]-6-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(diaminomethylidene)-5-[2-hydroxyethyl(methyl)amino]-6-phenylpyrazine-2-carboxamide
PubChem CID177376669
Molecular FormulaC15H19N7O2
Molecular Weight329.36 g/mol
Exact Mass329.16
IUPAC Name3-amino-N-(diaminomethylidene)-5-[2-hydroxyethyl(methyl)amino]-6-phenylpyrazine-2-carboxamide
SMILESCN(CCO)c1nc(N)c(C(=O)N=C(N)N)nc1-c1ccccc1
InChIInChI=1S/C15H19N7O2/c1-22(7-8-23)13-10(9-5-3-2-4-6-9)19-11(12(16)20-13)14(24)21-15(17)18/h2-6,23H,7-8H2,1H3,(H2,16,20)(H4,17,18,21,24)
InChIKeyIYIAMGMHHSQZIE-UHFFFAOYSA-N
XLogP-0.43
TPSA156.74 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 5-0.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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 3-amino-N-(diaminomethylidene)-5-[2-hydroxyethyl(methyl)amino]-6-phenylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-(diaminomethylidene)-5-[2-hydroxyethyl(methyl)amino]-6-phenylpyrazine-2-carboxamide (CID 177376669) is 3-amino-N-(diaminomethylidene)-5-[2-hydroxyethyl(methyl)amino]-6-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(diaminomethylidene)-5-[2-hydroxyethyl(methyl)amino]-6-phenylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-(diaminomethylidene)-5-[2-hydroxyethyl(methyl)amino]-6-phenylpyrazine-2-carboxamide is CN(CCO)c1nc(N)c(C(=O)N=C(N)N)nc1-c1ccccc1.
What is the InChIKey of 3-amino-N-(diaminomethylidene)-5-[2-hydroxyethyl(methyl)amino]-6-phenylpyrazine-2-carboxamide?
The InChIKey is IYIAMGMHHSQZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O2/c1-22(7-8-23)13-10(9-5-3-2-4-6-9)19-11(12(16)20-13)14(24)21-15(17)18/h2-6,23H,7-8H2,1H3,(H2,16,20)(H4,17,18,21,24).
What are the key properties of 3-amino-N-(diaminomethylidene)-5-[2-hydroxyethyl(methyl)amino]-6-phenylpyrazine-2-carboxamide?
3-amino-N-(diaminomethylidene)-5-[2-hydroxyethyl(methyl)amino]-6-phenylpyrazine-2-carboxamide has a molecular weight of 329.36 g/mol, XLogP of -0.43, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(diaminomethylidene)-5-[2-hydroxyethyl(methyl)amino]-6-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 177376669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).