2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(1-propylpyrazol-4-yl)ethanamine

C16H29N5 — CID 103571951

IUPAC2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(1-propylpyrazol-4-yl)ethanamine
SMILESCCCn1cc(C(CN)N2CCN3CCCCC3C2)cn1
InChIInChI=1S/C16H29N5/c1-2-6-21-12-14(11-18-21)16(10-17)20-9-8-19-7-4-3-5-15(19)13-20/h11-12,15-16H,2-10,13,17H2,1H3
InChIKeyRZSYQPVAALQKML-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.46
Rot. Bonds5

About 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(1-propylpyrazol-4-yl)ethanamine

2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(1-propylpyrazol-4-yl)ethanamine (PubChem CID 103571951) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(1-propylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(1-propylpyrazol-4-yl)ethanamine
PubChem CID103571951
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(1-propylpyrazol-4-yl)ethanamine
SMILESCCCn1cc(C(CN)N2CCN3CCCCC3C2)cn1
InChIInChI=1S/C16H29N5/c1-2-6-21-12-14(11-18-21)16(10-17)20-9-8-19-7-4-3-5-15(19)13-20/h11-12,15-16H,2-10,13,17H2,1H3
InChIKeyRZSYQPVAALQKML-UHFFFAOYSA-N
XLogP1.46
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-cyclopropylpiperazin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine
CID 103571785
2-(2-propan-2-ylpyrrolidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine
CID 103571938
2-(1-ethylpyrazol-4-yl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
CID 103569678
2-(2-propylpiperidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine
CID 103571978
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(1-propylpyrazol-4-yl)ethanamine
CID 103572014
2-(3,3-dimethylpiperidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine
CID 103571894
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[4-(difluoromethyl)phenyl]ethanamine
CID 115524407
1-(1-methylpyrazol-4-yl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-2-amine
CID 63171805
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(furan-2-yl)ethanamine
CID 79931766
1-[2-amino-1-(1-ethylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 103569603
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(2,3-dimethylphenyl)ethanamine
CID 79916476
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(1-propylpyrazol-4-yl)ethanamine
CID 103571823

Frequently Asked Questions

What is the IUPAC name of 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(1-propylpyrazol-4-yl)ethanamine?
The IUPAC name of 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(1-propylpyrazol-4-yl)ethanamine (CID 103571951) is 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(1-propylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(1-propylpyrazol-4-yl)ethanamine?
The canonical SMILES for 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(1-propylpyrazol-4-yl)ethanamine is CCCn1cc(C(CN)N2CCN3CCCCC3C2)cn1.
What is the InChIKey of 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(1-propylpyrazol-4-yl)ethanamine?
The InChIKey is RZSYQPVAALQKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-2-6-21-12-14(11-18-21)16(10-17)20-9-8-19-7-4-3-5-15(19)13-20/h11-12,15-16H,2-10,13,17H2,1H3.
What are the key properties of 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(1-propylpyrazol-4-yl)ethanamine?
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(1-propylpyrazol-4-yl)ethanamine has a molecular weight of 291.44 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(1-propylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 103571951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).