acetylene;ethane;5-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-amine

C16H26N4O — CID 145054361

IUPACacetylene;ethane;5-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-amine
SMILESC#C.CC.Nc1ccc(N2CCN(C3COC3)CC2)cn1
InChIInChI=1S/C12H18N4O.C2H6.C2H2/c13-12-2-1-10(7-14-12)15-3-5-16(6-4-15)11-8-17-9-11;2*1-2/h1-2,7,11H,3-6,8-9H2,(H2,13,14);1-2H3;1-2H
InChIKeyYGROTDRKWUQTBX-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.46
Rot. Bonds2

About acetylene;ethane;5-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-amine

acetylene;ethane;5-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-amine (PubChem CID 145054361) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is acetylene;ethane;5-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-amine.

Molecular Properties

Compound Nameacetylene;ethane;5-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-amine
PubChem CID145054361
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Nameacetylene;ethane;5-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-amine
SMILESC#C.CC.Nc1ccc(N2CCN(C3COC3)CC2)cn1
InChIInChI=1S/C12H18N4O.C2H6.C2H2/c13-12-2-1-10(7-14-12)15-3-5-16(6-4-15)11-8-17-9-11;2*1-2/h1-2,7,11H,3-6,8-9H2,(H2,13,14);1-2H3;1-2H
InChIKeyYGROTDRKWUQTBX-UHFFFAOYSA-N
XLogP1.46
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(4-morpholin-4-ylpiperidin-1-yl)pyridin-2-amine
CID 67513413
5-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)pyridin-2-amine
CID 145146754
5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyridin-2-amine
CID 121374351
5-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-2-amine
CID 43318150
5-(azepan-1-yl)pyridin-2-amine;dihydrochloride
CID 75537462
5-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyridin-2-amine
CID 122520394
5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyridin-2-amine
CID 61312836
5-(4-prop-1-en-2-ylpiperazin-1-yl)pyridin-2-amine
CID 176665681
5-(4-ethyl-3-methylpiperazin-1-yl)pyridin-2-amine
CID 63608912
5-(2,5-dihydropyrrol-1-yl)pyridin-2-amine
CID 65417066
N-(5-bromo-1-methyl-2H-pyridin-3-yl)-5-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-amine
CID 141373821
4-[4-(6-amino-3-pyridinyl)piperazin-1-yl]benzonitrile
CID 60870023

Frequently Asked Questions

What is the IUPAC name of acetylene;ethane;5-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-amine?
The IUPAC name of acetylene;ethane;5-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-amine (CID 145054361) is acetylene;ethane;5-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-amine.
What is the SMILES notation for acetylene;ethane;5-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-amine?
The canonical SMILES for acetylene;ethane;5-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-amine is C#C.CC.Nc1ccc(N2CCN(C3COC3)CC2)cn1.
What is the InChIKey of acetylene;ethane;5-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-amine?
The InChIKey is YGROTDRKWUQTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O.C2H6.C2H2/c13-12-2-1-10(7-14-12)15-3-5-16(6-4-15)11-8-17-9-11;2*1-2/h1-2,7,11H,3-6,8-9H2,(H2,13,14);1-2H3;1-2H.
What are the key properties of acetylene;ethane;5-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-amine?
acetylene;ethane;5-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-amine has a molecular weight of 290.41 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;ethane;5-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-amine is sourced from PubChem (CID 145054361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).