3-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-1-cyclopropylpyrazin-2-one

C15H25N5O — CID 62938574

IUPAC3-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-1-cyclopropylpyrazin-2-one
SMILESNCCCN1CCCN(c2nccn(C3CC3)c2=O)CC1
InChIInChI=1S/C15H25N5O/c16-5-1-7-18-8-2-9-19(12-11-18)14-15(21)20(10-6-17-14)13-3-4-13/h6,10,13H,1-5,7-9,11-12,16H2
InChIKeyYDTYIGAVPRNQLH-UHFFFAOYSA-N
MW291.40 g/mol
LogP0.44
Rot. Bonds5

About 3-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-1-cyclopropylpyrazin-2-one

3-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-1-cyclopropylpyrazin-2-one (PubChem CID 62938574) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 3-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-1-cyclopropylpyrazin-2-one.

Molecular Properties

Compound Name3-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-1-cyclopropylpyrazin-2-one
PubChem CID62938574
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name3-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-1-cyclopropylpyrazin-2-one
SMILESNCCCN1CCCN(c2nccn(C3CC3)c2=O)CC1
InChIInChI=1S/C15H25N5O/c16-5-1-7-18-8-2-9-19(12-11-18)14-15(21)20(10-6-17-14)13-3-4-13/h6,10,13H,1-5,7-9,11-12,16H2
InChIKeyYDTYIGAVPRNQLH-UHFFFAOYSA-N
XLogP0.44
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-1-cyclopropylpyrazin-2-one?
The IUPAC name of 3-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-1-cyclopropylpyrazin-2-one (CID 62938574) is 3-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-1-cyclopropylpyrazin-2-one.
What is the SMILES notation for 3-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-1-cyclopropylpyrazin-2-one?
The canonical SMILES for 3-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-1-cyclopropylpyrazin-2-one is NCCCN1CCCN(c2nccn(C3CC3)c2=O)CC1.
What is the InChIKey of 3-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-1-cyclopropylpyrazin-2-one?
The InChIKey is YDTYIGAVPRNQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c16-5-1-7-18-8-2-9-19(12-11-18)14-15(21)20(10-6-17-14)13-3-4-13/h6,10,13H,1-5,7-9,11-12,16H2.
What are the key properties of 3-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-1-cyclopropylpyrazin-2-one?
3-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-1-cyclopropylpyrazin-2-one has a molecular weight of 291.40 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-1-cyclopropylpyrazin-2-one is sourced from PubChem (CID 62938574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).