N-[[1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]triazol-4-yl]methyl]propan-2-amine

C14H23N7 — CID 63024468

IUPACN-[[1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]triazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(CCN2CCn3ccnc3C2)nn1
InChIInChI=1S/C14H23N7/c1-12(2)16-9-13-10-21(18-17-13)8-6-19-5-7-20-4-3-15-14(20)11-19/h3-4,10,12,16H,5-9,11H2,1-2H3
InChIKeyOYHRKQQKQBLLPZ-UHFFFAOYSA-N
MW289.39 g/mol
LogP0.49
Rot. Bonds6

About N-[[1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]triazol-4-yl]methyl]propan-2-amine

N-[[1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]triazol-4-yl]methyl]propan-2-amine (PubChem CID 63024468) has the molecular formula C14H23N7 and a molecular weight of 289.39 g/mol. Its IUPAC name is N-[[1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]triazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]triazol-4-yl]methyl]propan-2-amine
PubChem CID63024468
Molecular FormulaC14H23N7
Molecular Weight289.39 g/mol
Exact Mass289.20
IUPAC NameN-[[1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]triazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(CCN2CCn3ccnc3C2)nn1
InChIInChI=1S/C14H23N7/c1-12(2)16-9-13-10-21(18-17-13)8-6-19-5-7-20-4-3-15-14(20)11-19/h3-4,10,12,16H,5-9,11H2,1-2H3
InChIKeyOYHRKQQKQBLLPZ-UHFFFAOYSA-N
XLogP0.49
TPSA63.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]triazol-4-yl]methyl]ethanamine
CID 63024466
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-propan-2-ylpropan-1-amine
CID 63013047
N-[[1-[2-(4-cyclopropylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 62412244
N-[[1-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 55074277
N-[[1-(3-pyrrolidin-1-ylpropyl)triazol-4-yl]methyl]propan-2-amine
CID 66192005
N-[[1-[2-(4-methoxypiperidin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 62421519
N-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophen-2-yl]methyl]propan-2-amine
CID 107556725
N-[[6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-pyridinyl]methyl]propan-2-amine
CID 63025668
N-[[1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]triazol-4-yl]methyl]propan-2-amine
CID 114413535
N-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)furan-3-yl]methyl]propan-2-amine
CID 63025339
N-[[1-[2-(2-ethylpyrrolidin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 62440052
N-[[1-(3,3,3-trifluoropropyl)triazol-4-yl]methyl]propan-2-amine
CID 66193569

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]triazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]triazol-4-yl]methyl]propan-2-amine (CID 63024468) is N-[[1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]triazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]triazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]triazol-4-yl]methyl]propan-2-amine is CC(C)NCc1cn(CCN2CCn3ccnc3C2)nn1.
What is the InChIKey of N-[[1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]triazol-4-yl]methyl]propan-2-amine?
The InChIKey is OYHRKQQKQBLLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7/c1-12(2)16-9-13-10-21(18-17-13)8-6-19-5-7-20-4-3-15-14(20)11-19/h3-4,10,12,16H,5-9,11H2,1-2H3.
What are the key properties of N-[[1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]triazol-4-yl]methyl]propan-2-amine?
N-[[1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]triazol-4-yl]methyl]propan-2-amine has a molecular weight of 289.39 g/mol, XLogP of 0.49, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]triazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 63024468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).