N'-[4-[[amino(pyrazin-2-yl)methylidene]amino]butyl]pyrazine-2-carboximidamide

C14H18N8 — CID 71569072

IUPACN'-[4-[[amino(pyrazin-2-yl)methylidene]amino]butyl]pyrazine-2-carboximidamide
SMILESN/C(=N\CCCC/N=C(\N)c1cnccn1)c1cnccn1
InChIInChI=1S/C14H18N8/c15-13(11-9-17-5-7-19-11)21-3-1-2-4-22-14(16)12-10-18-6-8-20-12/h5-10H,1-4H2,(H2,15,21)(H2,16,22)
InChIKeyBXFVYWBUSAAXGB-UHFFFAOYSA-N
MW298.35 g/mol
LogP0.16
Rot. Bonds7

About N'-[4-[[amino(pyrazin-2-yl)methylidene]amino]butyl]pyrazine-2-carboximidamide

N'-[4-[[amino(pyrazin-2-yl)methylidene]amino]butyl]pyrazine-2-carboximidamide (PubChem CID 71569072) has the molecular formula C14H18N8 and a molecular weight of 298.35 g/mol. Its IUPAC name is N'-[4-[[amino(pyrazin-2-yl)methylidene]amino]butyl]pyrazine-2-carboximidamide.

Molecular Properties

Compound NameN'-[4-[[amino(pyrazin-2-yl)methylidene]amino]butyl]pyrazine-2-carboximidamide
PubChem CID71569072
Molecular FormulaC14H18N8
Molecular Weight298.35 g/mol
Exact Mass298.17
IUPAC NameN'-[4-[[amino(pyrazin-2-yl)methylidene]amino]butyl]pyrazine-2-carboximidamide
SMILESN/C(=N\CCCC/N=C(\N)c1cnccn1)c1cnccn1
InChIInChI=1S/C14H18N8/c15-13(11-9-17-5-7-19-11)21-3-1-2-4-22-14(16)12-10-18-6-8-20-12/h5-10H,1-4H2,(H2,15,21)(H2,16,22)
InChIKeyBXFVYWBUSAAXGB-UHFFFAOYSA-N
XLogP0.16
TPSA128.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

Pyrazine-2-carboxamidine hydrochloride
CID 470895
N'-(2-piperazin-1-ylethyl)pyrazine-2-carboximidamide
CID 71569069
N'-[3-[4-[3-[[amino(pyrazin-2-yl)methylidene]amino]propyl]piperazin-1-yl]propyl]pyrazine-2-carboximidamide
CID 71569229
N'-[2-[2-[2-[[amino(pyrazin-2-yl)methylidene]amino]ethoxy]ethoxy]ethyl]pyrazine-2-carboximidamide
CID 11337277
Pyrazine-2-carboximidamide
CID 470896
N'-aminopyrazine-2-carboximidamide
CID 2800188
N'-[(Z)-[amino(pyrazin-2-yl)methylene]amino]pyrazine-2-carboxamidine
CID 15494148
Pyrazine-2-carboximidohydrazide
CID 9583164
N'-methylpyrazine-2-carboximidamide
CID 63182040
3,6-Di(pyrazin-2-yl)-1,4-dihydro-1,2,4,5-tetrazine
CID 12145988
Pyrazine-2-amidoxime
CID 139202332
1-pyrazin-2-yl-N-(pyrazin-2-ylmethyl)methanimine
CID 162411575

Frequently Asked Questions

What is the IUPAC name of N'-[4-[[amino(pyrazin-2-yl)methylidene]amino]butyl]pyrazine-2-carboximidamide?
The IUPAC name of N'-[4-[[amino(pyrazin-2-yl)methylidene]amino]butyl]pyrazine-2-carboximidamide (CID 71569072) is N'-[4-[[amino(pyrazin-2-yl)methylidene]amino]butyl]pyrazine-2-carboximidamide.
What is the SMILES notation for N'-[4-[[amino(pyrazin-2-yl)methylidene]amino]butyl]pyrazine-2-carboximidamide?
The canonical SMILES for N'-[4-[[amino(pyrazin-2-yl)methylidene]amino]butyl]pyrazine-2-carboximidamide is N/C(=N\CCCC/N=C(\N)c1cnccn1)c1cnccn1.
What is the InChIKey of N'-[4-[[amino(pyrazin-2-yl)methylidene]amino]butyl]pyrazine-2-carboximidamide?
The InChIKey is BXFVYWBUSAAXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N8/c15-13(11-9-17-5-7-19-11)21-3-1-2-4-22-14(16)12-10-18-6-8-20-12/h5-10H,1-4H2,(H2,15,21)(H2,16,22).
What are the key properties of N'-[4-[[amino(pyrazin-2-yl)methylidene]amino]butyl]pyrazine-2-carboximidamide?
N'-[4-[[amino(pyrazin-2-yl)methylidene]amino]butyl]pyrazine-2-carboximidamide has a molecular weight of 298.35 g/mol, XLogP of 0.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[[amino(pyrazin-2-yl)methylidene]amino]butyl]pyrazine-2-carboximidamide is sourced from PubChem (CID 71569072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).