3-amino-5-(tert-butylamino)-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide

C10H16ClN7O — CID 3081949

IUPAC3-amino-5-(tert-butylamino)-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide
SMILESCC(C)(C)Nc1nc(N)c(C(=O)N=C(N)N)nc1Cl
InChIInChI=1S/C10H16ClN7O/c1-10(2,3)18-7-5(11)15-4(6(12)16-7)8(19)17-9(13)14/h1-3H3,(H3,12,16,18)(H4,13,14,17,19)
InChIKeyBUGBFZNZJXLHKN-UHFFFAOYSA-N
MW285.74 g/mol
LogP0.34
Rot. Bonds2

About 3-amino-5-(tert-butylamino)-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide

3-amino-5-(tert-butylamino)-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide (PubChem CID 3081949) has the molecular formula C10H16ClN7O and a molecular weight of 285.74 g/mol. Its IUPAC name is 3-amino-5-(tert-butylamino)-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(tert-butylamino)-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide
PubChem CID3081949
Molecular FormulaC10H16ClN7O
Molecular Weight285.74 g/mol
Exact Mass285.11
IUPAC Name3-amino-5-(tert-butylamino)-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide
SMILESCC(C)(C)Nc1nc(N)c(C(=O)N=C(N)N)nc1Cl
InChIInChI=1S/C10H16ClN7O/c1-10(2,3)18-7-5(11)15-4(6(12)16-7)8(19)17-9(13)14/h1-3H3,(H3,12,16,18)(H4,13,14,17,19)
InChIKeyBUGBFZNZJXLHKN-UHFFFAOYSA-N
XLogP0.34
TPSA145.30 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.74
LogP ≤ 50.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-5-(tert-butylamino)-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-5-(tert-butylamino)-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide (CID 3081949) is 3-amino-5-(tert-butylamino)-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-5-(tert-butylamino)-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-5-(tert-butylamino)-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide is CC(C)(C)Nc1nc(N)c(C(=O)N=C(N)N)nc1Cl.
What is the InChIKey of 3-amino-5-(tert-butylamino)-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide?
The InChIKey is BUGBFZNZJXLHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN7O/c1-10(2,3)18-7-5(11)15-4(6(12)16-7)8(19)17-9(13)14/h1-3H3,(H3,12,16,18)(H4,13,14,17,19).
What are the key properties of 3-amino-5-(tert-butylamino)-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide?
3-amino-5-(tert-butylamino)-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide has a molecular weight of 285.74 g/mol, XLogP of 0.34, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(tert-butylamino)-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide is sourced from PubChem (CID 3081949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).