3,5-diamino-N-(diaminomethylidene)-6-(1-methylpyrazol-4-yl)pyrazine-2-carboxamide

C10H13N9O — CID 138810990

IUPAC3,5-diamino-N-(diaminomethylidene)-6-(1-methylpyrazol-4-yl)pyrazine-2-carboxamide
SMILESCn1cc(-c2nc(C(=O)N=C(N)N)c(N)nc2N)cn1
InChIInChI=1S/C10H13N9O/c1-19-3-4(2-15-19)5-7(11)17-8(12)6(16-5)9(20)18-10(13)14/h2-3H,1H3,(H4,11,12,17)(H4,13,14,18,20)
InChIKeyMHKIPNGQRFWGIB-UHFFFAOYSA-N
MW275.28 g/mol
LogP-1.54
Rot. Bonds2

About 3,5-diamino-N-(diaminomethylidene)-6-(1-methylpyrazol-4-yl)pyrazine-2-carboxamide

3,5-diamino-N-(diaminomethylidene)-6-(1-methylpyrazol-4-yl)pyrazine-2-carboxamide (PubChem CID 138810990) has the molecular formula C10H13N9O and a molecular weight of 275.28 g/mol. Its IUPAC name is 3,5-diamino-N-(diaminomethylidene)-6-(1-methylpyrazol-4-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3,5-diamino-N-(diaminomethylidene)-6-(1-methylpyrazol-4-yl)pyrazine-2-carboxamide
PubChem CID138810990
Molecular FormulaC10H13N9O
Molecular Weight275.28 g/mol
Exact Mass275.12
IUPAC Name3,5-diamino-N-(diaminomethylidene)-6-(1-methylpyrazol-4-yl)pyrazine-2-carboxamide
SMILESCn1cc(-c2nc(C(=O)N=C(N)N)c(N)nc2N)cn1
InChIInChI=1S/C10H13N9O/c1-19-3-4(2-15-19)5-7(11)17-8(12)6(16-5)9(20)18-10(13)14/h2-3H,1H3,(H4,11,12,17)(H4,13,14,18,20)
InChIKeyMHKIPNGQRFWGIB-UHFFFAOYSA-N
XLogP-1.54
TPSA177.11 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 5-1.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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 3,5-diamino-N-(diaminomethylidene)-6-(1-methylpyrazol-4-yl)pyrazine-2-carboxamide?
The IUPAC name of 3,5-diamino-N-(diaminomethylidene)-6-(1-methylpyrazol-4-yl)pyrazine-2-carboxamide (CID 138810990) is 3,5-diamino-N-(diaminomethylidene)-6-(1-methylpyrazol-4-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3,5-diamino-N-(diaminomethylidene)-6-(1-methylpyrazol-4-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3,5-diamino-N-(diaminomethylidene)-6-(1-methylpyrazol-4-yl)pyrazine-2-carboxamide is Cn1cc(-c2nc(C(=O)N=C(N)N)c(N)nc2N)cn1.
What is the InChIKey of 3,5-diamino-N-(diaminomethylidene)-6-(1-methylpyrazol-4-yl)pyrazine-2-carboxamide?
The InChIKey is MHKIPNGQRFWGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N9O/c1-19-3-4(2-15-19)5-7(11)17-8(12)6(16-5)9(20)18-10(13)14/h2-3H,1H3,(H4,11,12,17)(H4,13,14,18,20).
What are the key properties of 3,5-diamino-N-(diaminomethylidene)-6-(1-methylpyrazol-4-yl)pyrazine-2-carboxamide?
3,5-diamino-N-(diaminomethylidene)-6-(1-methylpyrazol-4-yl)pyrazine-2-carboxamide has a molecular weight of 275.28 g/mol, XLogP of -1.54, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-(diaminomethylidene)-6-(1-methylpyrazol-4-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 138810990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).