3-amino-6-cyclopropyl-N-(diaminomethylidene)-5-[ethyl(propan-2-yl)amino]pyrazine-2-carboxamide

C14H23N7O — CID 163435463

IUPAC3-amino-6-cyclopropyl-N-(diaminomethylidene)-5-[ethyl(propan-2-yl)amino]pyrazine-2-carboxamide
SMILESCCN(c1nc(N)c(C(=O)N=C(N)N)nc1C1CC1)C(C)C
InChIInChI=1S/C14H23N7O/c1-4-21(7(2)3)12-9(8-5-6-8)18-10(11(15)19-12)13(22)20-14(16)17/h7-8H,4-6H2,1-3H3,(H2,15,19)(H4,16,17,20,22)
InChIKeyAUCKYMGUOXTEQV-UHFFFAOYSA-N
MW305.39 g/mol
LogP0.58
Rot. Bonds5

About 3-amino-6-cyclopropyl-N-(diaminomethylidene)-5-[ethyl(propan-2-yl)amino]pyrazine-2-carboxamide

3-amino-6-cyclopropyl-N-(diaminomethylidene)-5-[ethyl(propan-2-yl)amino]pyrazine-2-carboxamide (PubChem CID 163435463) has the molecular formula C14H23N7O and a molecular weight of 305.39 g/mol. Its IUPAC name is 3-amino-6-cyclopropyl-N-(diaminomethylidene)-5-[ethyl(propan-2-yl)amino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-cyclopropyl-N-(diaminomethylidene)-5-[ethyl(propan-2-yl)amino]pyrazine-2-carboxamide
PubChem CID163435463
Molecular FormulaC14H23N7O
Molecular Weight305.39 g/mol
Exact Mass305.20
IUPAC Name3-amino-6-cyclopropyl-N-(diaminomethylidene)-5-[ethyl(propan-2-yl)amino]pyrazine-2-carboxamide
SMILESCCN(c1nc(N)c(C(=O)N=C(N)N)nc1C1CC1)C(C)C
InChIInChI=1S/C14H23N7O/c1-4-21(7(2)3)12-9(8-5-6-8)18-10(11(15)19-12)13(22)20-14(16)17/h7-8H,4-6H2,1-3H3,(H2,15,19)(H4,16,17,20,22)
InChIKeyAUCKYMGUOXTEQV-UHFFFAOYSA-N
XLogP0.58
TPSA136.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 50.58
H-Bond Donors ≤ 53
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-6-cyclopropyl-N-(diaminomethylidene)-5-[ethyl(propan-2-yl)amino]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-cyclopropyl-N-(diaminomethylidene)-5-[ethyl(propan-2-yl)amino]pyrazine-2-carboxamide (CID 163435463) is 3-amino-6-cyclopropyl-N-(diaminomethylidene)-5-[ethyl(propan-2-yl)amino]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-cyclopropyl-N-(diaminomethylidene)-5-[ethyl(propan-2-yl)amino]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-cyclopropyl-N-(diaminomethylidene)-5-[ethyl(propan-2-yl)amino]pyrazine-2-carboxamide is CCN(c1nc(N)c(C(=O)N=C(N)N)nc1C1CC1)C(C)C.
What is the InChIKey of 3-amino-6-cyclopropyl-N-(diaminomethylidene)-5-[ethyl(propan-2-yl)amino]pyrazine-2-carboxamide?
The InChIKey is AUCKYMGUOXTEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7O/c1-4-21(7(2)3)12-9(8-5-6-8)18-10(11(15)19-12)13(22)20-14(16)17/h7-8H,4-6H2,1-3H3,(H2,15,19)(H4,16,17,20,22).
What are the key properties of 3-amino-6-cyclopropyl-N-(diaminomethylidene)-5-[ethyl(propan-2-yl)amino]pyrazine-2-carboxamide?
3-amino-6-cyclopropyl-N-(diaminomethylidene)-5-[ethyl(propan-2-yl)amino]pyrazine-2-carboxamide has a molecular weight of 305.39 g/mol, XLogP of 0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-cyclopropyl-N-(diaminomethylidene)-5-[ethyl(propan-2-yl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 163435463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).