2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-prop-2-ynylpropan-1-amine

C12H18N4 — CID 63025864

IUPAC2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-prop-2-ynylpropan-1-amine
SMILESC#CCNCC(C)N1CCn2ccnc2C1
InChIInChI=1S/C12H18N4/c1-3-4-13-9-11(2)16-8-7-15-6-5-14-12(15)10-16/h1,5-6,11,13H,4,7-10H2,2H3
InChIKeyIFRMNGMUFRECLK-UHFFFAOYSA-N
MW218.30 g/mol
LogP0.31
Rot. Bonds4

About 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-prop-2-ynylpropan-1-amine

2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-prop-2-ynylpropan-1-amine (PubChem CID 63025864) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-prop-2-ynylpropan-1-amine.

Molecular Properties

Compound Name2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-prop-2-ynylpropan-1-amine
PubChem CID63025864
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-prop-2-ynylpropan-1-amine
SMILESC#CCNCC(C)N1CCn2ccnc2C1
InChIInChI=1S/C12H18N4/c1-3-4-13-9-11(2)16-8-7-15-6-5-14-12(15)10-16/h1,5-6,11,13H,4,7-10H2,2H3
InChIKeyIFRMNGMUFRECLK-UHFFFAOYSA-N
XLogP0.31
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propan-1-amine
CID 63015141
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 79408748
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 55144039
4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-methylpentan-1-amine
CID 63025679
7-nonan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 170207303
4-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propyl]phenol
CID 82979541
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-methylpentan-3-amine
CID 63015349
methyl 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(methylamino)pentanoate
CID 64704163
N-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-phenylethyl]propan-1-amine
CID 63026877
2-(4-methyl-1,4-diazepan-1-yl)-N-prop-2-ynylpropan-1-amine
CID 62558175
N-[[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 80999923
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-prop-2-ynylpropan-1-amine
CID 62558505

Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-prop-2-ynylpropan-1-amine?
The IUPAC name of 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-prop-2-ynylpropan-1-amine (CID 63025864) is 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-prop-2-ynylpropan-1-amine.
What is the SMILES notation for 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-prop-2-ynylpropan-1-amine?
The canonical SMILES for 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-prop-2-ynylpropan-1-amine is C#CCNCC(C)N1CCn2ccnc2C1.
What is the InChIKey of 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-prop-2-ynylpropan-1-amine?
The InChIKey is IFRMNGMUFRECLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-3-4-13-9-11(2)16-8-7-15-6-5-14-12(15)10-16/h1,5-6,11,13H,4,7-10H2,2H3.
What are the key properties of 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-prop-2-ynylpropan-1-amine?
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-prop-2-ynylpropan-1-amine has a molecular weight of 218.30 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-prop-2-ynylpropan-1-amine is sourced from PubChem (CID 63025864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).