2-chloro-5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)aniline

C13H15ClN4 — CID 55149396

IUPAC2-chloro-5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)aniline
SMILESNc1cc(CN2CCn3ccnc3C2)ccc1Cl
InChIInChI=1S/C13H15ClN4/c14-11-2-1-10(7-12(11)15)8-17-5-6-18-4-3-16-13(18)9-17/h1-4,7H,5-6,8-9,15H2
InChIKeyDBHFXUDUDQULEZ-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.13
Rot. Bonds2

About 2-chloro-5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)aniline

2-chloro-5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)aniline (PubChem CID 55149396) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is 2-chloro-5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)aniline.

Molecular Properties

Compound Name2-chloro-5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)aniline
PubChem CID55149396
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC Name2-chloro-5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)aniline
SMILESNc1cc(CN2CCn3ccnc3C2)ccc1Cl
InChIInChI=1S/C13H15ClN4/c14-11-2-1-10(7-12(11)15)8-17-5-6-18-4-3-16-13(18)9-17/h1-4,7H,5-6,8-9,15H2
InChIKeyDBHFXUDUDQULEZ-UHFFFAOYSA-N
XLogP2.13
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

7-[(3-bromophenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 55134729
7-benzyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 161306012
[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-nitrophenyl]hydrazine
CID 63025123
1-(3,4-dichlorophenyl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone
CID 63025214
1-[(3-amino-4-chlorophenyl)methyl]piperidin-4-ol
CID 43169013
8-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)quinolin-5-amine
CID 63015654
5-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiadiazole
CID 86774655
N-(2-amino-5-chlorophenyl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)acetamide
CID 63013345
7-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 86774691
4-[(3-amino-4-chlorophenyl)methyl]piperazine-2,6-dione
CID 66084854
5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2-methylaniline
CID 64576218
7-(4-chlorobutyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 63026954

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)aniline?
The IUPAC name of 2-chloro-5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)aniline (CID 55149396) is 2-chloro-5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)aniline.
What is the SMILES notation for 2-chloro-5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)aniline?
The canonical SMILES for 2-chloro-5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)aniline is Nc1cc(CN2CCn3ccnc3C2)ccc1Cl.
What is the InChIKey of 2-chloro-5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)aniline?
The InChIKey is DBHFXUDUDQULEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4/c14-11-2-1-10(7-12(11)15)8-17-5-6-18-4-3-16-13(18)9-17/h1-4,7H,5-6,8-9,15H2.
What are the key properties of 2-chloro-5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)aniline?
2-chloro-5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)aniline has a molecular weight of 262.74 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)aniline is sourced from PubChem (CID 55149396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).