5-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyrazine-2-carboximidamide

C12H20N6O — CID 107223282

IUPAC5-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1cnc(N2CCCN(CCO)CC2)cn1
InChIInChI=1S/C12H20N6O/c13-12(14)10-8-16-11(9-15-10)18-3-1-2-17(4-5-18)6-7-19/h8-9,19H,1-7H2,(H3,13,14)
InChIKeyVCKLTHDEKASKNY-UHFFFAOYSA-N
MW264.33 g/mol
LogP-0.73
Rot. Bonds4

About 5-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyrazine-2-carboximidamide

5-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyrazine-2-carboximidamide (PubChem CID 107223282) has the molecular formula C12H20N6O and a molecular weight of 264.33 g/mol. Its IUPAC name is 5-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyrazine-2-carboximidamide.

Molecular Properties

Compound Name5-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyrazine-2-carboximidamide
PubChem CID107223282
Molecular FormulaC12H20N6O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC Name5-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1cnc(N2CCCN(CCO)CC2)cn1
InChIInChI=1S/C12H20N6O/c13-12(14)10-8-16-11(9-15-10)18-3-1-2-17(4-5-18)6-7-19/h8-9,19H,1-7H2,(H3,13,14)
InChIKeyVCKLTHDEKASKNY-UHFFFAOYSA-N
XLogP-0.73
TPSA102.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
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 5-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyrazine-2-carboximidamide?
The IUPAC name of 5-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyrazine-2-carboximidamide (CID 107223282) is 5-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyrazine-2-carboximidamide.
What is the SMILES notation for 5-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyrazine-2-carboximidamide?
The canonical SMILES for 5-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyrazine-2-carboximidamide is [H]/N=C(\N)c1cnc(N2CCCN(CCO)CC2)cn1.
What is the InChIKey of 5-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyrazine-2-carboximidamide?
The InChIKey is VCKLTHDEKASKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O/c13-12(14)10-8-16-11(9-15-10)18-3-1-2-17(4-5-18)6-7-19/h8-9,19H,1-7H2,(H3,13,14).
What are the key properties of 5-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyrazine-2-carboximidamide?
5-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyrazine-2-carboximidamide has a molecular weight of 264.33 g/mol, XLogP of -0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyrazine-2-carboximidamide is sourced from PubChem (CID 107223282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).