N-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]pyrazine-2-carboxamide;hydroiodide

C11H19IN6O — CID 119121124

IUPACN-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]pyrazine-2-carboxamide;hydroiodide
SMILESCC(C)N/C(N)=N/CCNC(=O)c1cnccn1.I
InChIInChI=1S/C11H18N6O.HI/c1-8(2)17-11(12)16-6-5-15-10(18)9-7-13-3-4-14-9;/h3-4,7-8H,5-6H2,1-2H3,(H,15,18)(H3,12,16,17);1H
InChIKeyHYIZEYIKTHJTCP-UHFFFAOYSA-N
MW378.22 g/mol
LogP0.14
Rot. Bonds5

About N-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]pyrazine-2-carboxamide;hydroiodide

N-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]pyrazine-2-carboxamide;hydroiodide (PubChem CID 119121124) has the molecular formula C11H19IN6O and a molecular weight of 378.22 g/mol. Its IUPAC name is N-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]pyrazine-2-carboxamide;hydroiodide.

Molecular Properties

Compound NameN-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]pyrazine-2-carboxamide;hydroiodide
PubChem CID119121124
Molecular FormulaC11H19IN6O
Molecular Weight378.22 g/mol
Exact Mass378.07
IUPAC NameN-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]pyrazine-2-carboxamide;hydroiodide
SMILESCC(C)N/C(N)=N/CCNC(=O)c1cnccn1.I
InChIInChI=1S/C11H18N6O.HI/c1-8(2)17-11(12)16-6-5-15-10(18)9-7-13-3-4-14-9;/h3-4,7-8H,5-6H2,1-2H3,(H,15,18)(H3,12,16,17);1H
InChIKeyHYIZEYIKTHJTCP-UHFFFAOYSA-N
XLogP0.14
TPSA105.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.22
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]pyrazine-2-carboxamide;hydroiodide?
The IUPAC name of N-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]pyrazine-2-carboxamide;hydroiodide (CID 119121124) is N-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]pyrazine-2-carboxamide;hydroiodide.
What is the SMILES notation for N-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]pyrazine-2-carboxamide;hydroiodide?
The canonical SMILES for N-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]pyrazine-2-carboxamide;hydroiodide is CC(C)N/C(N)=N/CCNC(=O)c1cnccn1.I.
What is the InChIKey of N-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]pyrazine-2-carboxamide;hydroiodide?
The InChIKey is HYIZEYIKTHJTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O.HI/c1-8(2)17-11(12)16-6-5-15-10(18)9-7-13-3-4-14-9;/h3-4,7-8H,5-6H2,1-2H3,(H,15,18)(H3,12,16,17);1H.
What are the key properties of N-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]pyrazine-2-carboxamide;hydroiodide?
N-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]pyrazine-2-carboxamide;hydroiodide has a molecular weight of 378.22 g/mol, XLogP of 0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]pyrazine-2-carboxamide;hydroiodide is sourced from PubChem (CID 119121124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).