3-amino-6-chloro-N-(diaminomethylidene)-5-[3-hydroxypropyl(methyl)amino]pyrazine-2-carboxamide

C10H16ClN7O2 — CID 177376667

IUPAC3-amino-6-chloro-N-(diaminomethylidene)-5-[3-hydroxypropyl(methyl)amino]pyrazine-2-carboxamide
SMILESCN(CCCO)c1nc(N)c(C(=O)N=C(N)N)nc1Cl
InChIInChI=1S/C10H16ClN7O2/c1-18(3-2-4-19)8-6(11)15-5(7(12)16-8)9(20)17-10(13)14/h19H,2-4H2,1H3,(H2,12,16)(H4,13,14,17,20)
InChIKeyWOODOUYGYYADBQ-UHFFFAOYSA-N
MW301.74 g/mol
LogP-1.06
Rot. Bonds5

About 3-amino-6-chloro-N-(diaminomethylidene)-5-[3-hydroxypropyl(methyl)amino]pyrazine-2-carboxamide

3-amino-6-chloro-N-(diaminomethylidene)-5-[3-hydroxypropyl(methyl)amino]pyrazine-2-carboxamide (PubChem CID 177376667) has the molecular formula C10H16ClN7O2 and a molecular weight of 301.74 g/mol. Its IUPAC name is 3-amino-6-chloro-N-(diaminomethylidene)-5-[3-hydroxypropyl(methyl)amino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-chloro-N-(diaminomethylidene)-5-[3-hydroxypropyl(methyl)amino]pyrazine-2-carboxamide
PubChem CID177376667
Molecular FormulaC10H16ClN7O2
Molecular Weight301.74 g/mol
Exact Mass301.11
IUPAC Name3-amino-6-chloro-N-(diaminomethylidene)-5-[3-hydroxypropyl(methyl)amino]pyrazine-2-carboxamide
SMILESCN(CCCO)c1nc(N)c(C(=O)N=C(N)N)nc1Cl
InChIInChI=1S/C10H16ClN7O2/c1-18(3-2-4-19)8-6(11)15-5(7(12)16-8)9(20)17-10(13)14/h19H,2-4H2,1H3,(H2,12,16)(H4,13,14,17,20)
InChIKeyWOODOUYGYYADBQ-UHFFFAOYSA-N
XLogP-1.06
TPSA156.74 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.74
LogP ≤ 5-1.06
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-6-chloro-N-(diaminomethylidene)-5-[3-hydroxypropyl(methyl)amino]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-chloro-N-(diaminomethylidene)-5-[3-hydroxypropyl(methyl)amino]pyrazine-2-carboxamide (CID 177376667) is 3-amino-6-chloro-N-(diaminomethylidene)-5-[3-hydroxypropyl(methyl)amino]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-chloro-N-(diaminomethylidene)-5-[3-hydroxypropyl(methyl)amino]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-chloro-N-(diaminomethylidene)-5-[3-hydroxypropyl(methyl)amino]pyrazine-2-carboxamide is CN(CCCO)c1nc(N)c(C(=O)N=C(N)N)nc1Cl.
What is the InChIKey of 3-amino-6-chloro-N-(diaminomethylidene)-5-[3-hydroxypropyl(methyl)amino]pyrazine-2-carboxamide?
The InChIKey is WOODOUYGYYADBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN7O2/c1-18(3-2-4-19)8-6(11)15-5(7(12)16-8)9(20)17-10(13)14/h19H,2-4H2,1H3,(H2,12,16)(H4,13,14,17,20).
What are the key properties of 3-amino-6-chloro-N-(diaminomethylidene)-5-[3-hydroxypropyl(methyl)amino]pyrazine-2-carboxamide?
3-amino-6-chloro-N-(diaminomethylidene)-5-[3-hydroxypropyl(methyl)amino]pyrazine-2-carboxamide has a molecular weight of 301.74 g/mol, XLogP of -1.06, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-chloro-N-(diaminomethylidene)-5-[3-hydroxypropyl(methyl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 177376667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).