3,5-diamino-N-(diaminomethylidene)-6-(2,3-dihydro-1-benzofuran-5-yl)pyrazine-2-carboxamide

C14H15N7O2 — CID 155554981

IUPAC3,5-diamino-N-(diaminomethylidene)-6-(2,3-dihydro-1-benzofuran-5-yl)pyrazine-2-carboxamide
SMILESNC(N)=NC(=O)c1nc(-c2ccc3c(c2)CCO3)c(N)nc1N
InChIInChI=1S/C14H15N7O2/c15-11-9(7-1-2-8-6(5-7)3-4-23-8)19-10(12(16)20-11)13(22)21-14(17)18/h1-2,5H,3-4H2,(H4,15,16,20)(H4,17,18,21,22)
InChIKeyMEKRPVRSPDMWOU-UHFFFAOYSA-N
MW313.32 g/mol
LogP-0.34
Rot. Bonds2

About 3,5-diamino-N-(diaminomethylidene)-6-(2,3-dihydro-1-benzofuran-5-yl)pyrazine-2-carboxamide

3,5-diamino-N-(diaminomethylidene)-6-(2,3-dihydro-1-benzofuran-5-yl)pyrazine-2-carboxamide (PubChem CID 155554981) has the molecular formula C14H15N7O2 and a molecular weight of 313.32 g/mol. Its IUPAC name is 3,5-diamino-N-(diaminomethylidene)-6-(2,3-dihydro-1-benzofuran-5-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3,5-diamino-N-(diaminomethylidene)-6-(2,3-dihydro-1-benzofuran-5-yl)pyrazine-2-carboxamide
PubChem CID155554981
Molecular FormulaC14H15N7O2
Molecular Weight313.32 g/mol
Exact Mass313.13
IUPAC Name3,5-diamino-N-(diaminomethylidene)-6-(2,3-dihydro-1-benzofuran-5-yl)pyrazine-2-carboxamide
SMILESNC(N)=NC(=O)c1nc(-c2ccc3c(c2)CCO3)c(N)nc1N
InChIInChI=1S/C14H15N7O2/c15-11-9(7-1-2-8-6(5-7)3-4-23-8)19-10(12(16)20-11)13(22)21-14(17)18/h1-2,5H,3-4H2,(H4,15,16,20)(H4,17,18,21,22)
InChIKeyMEKRPVRSPDMWOU-UHFFFAOYSA-N
XLogP-0.34
TPSA168.52 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 5-0.34
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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Related Compounds

3,5-bis(azanyl)-6-(1-benzofuran-2-yl)-N-carbamimidoyl-pyrazine-2-carboxamide
CID 139030452
3,5-diamino-6-(5-cyano-1-benzofuran-2-yl)-N-(diaminomethylidene)pyrazine-2-carboxamide
CID 155544256
3,5-diamino-6-(1-benzofuran-5-yl)-N-(diaminomethylidene)pyrazine-2-carboxamide
CID 155555188
3,5-diamino-N-(diaminomethylidene)-6-(5-methyl-1-benzofuran-2-yl)pyrazine-2-carboxamide
CID 155560933
6,7-Bis(4-methoxyphenyl)pteridin-4-ol
CID 135435186
3-amino-N-(diaminomethylidene)-5-[2-hydroxyethyl(methyl)amino]-6-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 177376681
N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-5-methylpyrazine-2-carboxamide
CID 53590878
3-Amino-6-(4-ethoxy-2-fluorophenyl)pyrazine-2-carboxamide
CID 178395458
(3-Aminopyrazin-2-yl)-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methanone
CID 31747134
3-amino-6-(3-ethoxyphenyl)-2-Pyrazinecarboxamide
CID 10015369
3-amino-6-(4-ethoxyphenyl)-N-methylpyrazine-2-carboxamide
CID 10084620
3-Amino-6-(4-phenylmethoxyphenyl)pyrazine-2-carboxamide
CID 10403717

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-(diaminomethylidene)-6-(2,3-dihydro-1-benzofuran-5-yl)pyrazine-2-carboxamide?
The IUPAC name of 3,5-diamino-N-(diaminomethylidene)-6-(2,3-dihydro-1-benzofuran-5-yl)pyrazine-2-carboxamide (CID 155554981) is 3,5-diamino-N-(diaminomethylidene)-6-(2,3-dihydro-1-benzofuran-5-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3,5-diamino-N-(diaminomethylidene)-6-(2,3-dihydro-1-benzofuran-5-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3,5-diamino-N-(diaminomethylidene)-6-(2,3-dihydro-1-benzofuran-5-yl)pyrazine-2-carboxamide is NC(N)=NC(=O)c1nc(-c2ccc3c(c2)CCO3)c(N)nc1N.
What is the InChIKey of 3,5-diamino-N-(diaminomethylidene)-6-(2,3-dihydro-1-benzofuran-5-yl)pyrazine-2-carboxamide?
The InChIKey is MEKRPVRSPDMWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7O2/c15-11-9(7-1-2-8-6(5-7)3-4-23-8)19-10(12(16)20-11)13(22)21-14(17)18/h1-2,5H,3-4H2,(H4,15,16,20)(H4,17,18,21,22).
What are the key properties of 3,5-diamino-N-(diaminomethylidene)-6-(2,3-dihydro-1-benzofuran-5-yl)pyrazine-2-carboxamide?
3,5-diamino-N-(diaminomethylidene)-6-(2,3-dihydro-1-benzofuran-5-yl)pyrazine-2-carboxamide has a molecular weight of 313.32 g/mol, XLogP of -0.34, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-(diaminomethylidene)-6-(2,3-dihydro-1-benzofuran-5-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 155554981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).