3-[(4-tert-butyl-3-oxopyrazin-2-yl)-propan-2-ylamino]propanimidamide

C14H25N5O — CID 62938766

IUPAC3-[(4-tert-butyl-3-oxopyrazin-2-yl)-propan-2-ylamino]propanimidamide
SMILES[H]/N=C(\N)CCN(c1nccn(C(C)(C)C)c1=O)C(C)C
InChIInChI=1S/C14H25N5O/c1-10(2)18(8-6-11(15)16)12-13(20)19(9-7-17-12)14(3,4)5/h7,9-10H,6,8H2,1-5H3,(H3,15,16)
InChIKeyQBHBIKCWVCWWHC-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.54
Rot. Bonds5

About 3-[(4-tert-butyl-3-oxopyrazin-2-yl)-propan-2-ylamino]propanimidamide

3-[(4-tert-butyl-3-oxopyrazin-2-yl)-propan-2-ylamino]propanimidamide (PubChem CID 62938766) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 3-[(4-tert-butyl-3-oxopyrazin-2-yl)-propan-2-ylamino]propanimidamide.

Molecular Properties

Compound Name3-[(4-tert-butyl-3-oxopyrazin-2-yl)-propan-2-ylamino]propanimidamide
PubChem CID62938766
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name3-[(4-tert-butyl-3-oxopyrazin-2-yl)-propan-2-ylamino]propanimidamide
SMILES[H]/N=C(\N)CCN(c1nccn(C(C)(C)C)c1=O)C(C)C
InChIInChI=1S/C14H25N5O/c1-10(2)18(8-6-11(15)16)12-13(20)19(9-7-17-12)14(3,4)5/h7,9-10H,6,8H2,1-5H3,(H3,15,16)
InChIKeyQBHBIKCWVCWWHC-UHFFFAOYSA-N
XLogP1.54
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.54
H-Bond Donors ≤ 52
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-[(4-tert-butyl-3-oxopyrazin-2-yl)-propan-2-ylamino]propanimidamide?
The IUPAC name of 3-[(4-tert-butyl-3-oxopyrazin-2-yl)-propan-2-ylamino]propanimidamide (CID 62938766) is 3-[(4-tert-butyl-3-oxopyrazin-2-yl)-propan-2-ylamino]propanimidamide.
What is the SMILES notation for 3-[(4-tert-butyl-3-oxopyrazin-2-yl)-propan-2-ylamino]propanimidamide?
The canonical SMILES for 3-[(4-tert-butyl-3-oxopyrazin-2-yl)-propan-2-ylamino]propanimidamide is [H]/N=C(\N)CCN(c1nccn(C(C)(C)C)c1=O)C(C)C.
What is the InChIKey of 3-[(4-tert-butyl-3-oxopyrazin-2-yl)-propan-2-ylamino]propanimidamide?
The InChIKey is QBHBIKCWVCWWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-10(2)18(8-6-11(15)16)12-13(20)19(9-7-17-12)14(3,4)5/h7,9-10H,6,8H2,1-5H3,(H3,15,16).
What are the key properties of 3-[(4-tert-butyl-3-oxopyrazin-2-yl)-propan-2-ylamino]propanimidamide?
3-[(4-tert-butyl-3-oxopyrazin-2-yl)-propan-2-ylamino]propanimidamide has a molecular weight of 279.39 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butyl-3-oxopyrazin-2-yl)-propan-2-ylamino]propanimidamide is sourced from PubChem (CID 62938766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).